| CAS Number | 303120-71-0 |
| Catalog Number | AG00I5OX(AGN-PC-0WG49G) |
| Chemical Name | Diethyl 2-(((4-(methoxycarbonyl)phenyl)amino)methylene)malonate |
| IUPAC Name | diethyl 2-[(4-methoxycarbonylanilino)methylidene]propanedioate |
| InChI | InChI=1S/C16H19NO6/c1-4-22-15(19)13(16(20)23-5-2)10-17-12-8-6-11(7-9-12)14(18)21-3/h6-10,17H,4-5H2,1-3H3 |
| InChI Key | XTZMRDZABAIYTG-UHFFFAOYSA-N |
| MDL Number | MFCD02216625 |
| Molecular Formula | C16H19NO6 |
| Molecular Weight | 321.3252 |
| SMILES | CCOC(=O)C(=CNc1ccc(cc1)C(=O)OC)C(=O)OCC |
| Synonyms | 303120-71-0,
Diethyl 2-(((4-(methoxycarbonyl)phenyl)amino)methylene)malonate,
diethyl 2-[(4-methoxycarbonylanilino)methylidene]propanedioate,
CBMicro_030499,
AC1LTW73,
ZINC1780077,
MFCD02216625,
AKOS002265203,
MCULE-4126816024,
TZ001072,
BIM-0030467.P001,
CS-0037002,
ST50189848,
SR-01000228818,
SR-01000228818-1,
diethyl 2-({[4-(methoxycarbonyl)phenyl]amino}methylene)propane-1,3-dioate,
C16H19NO6,
ZINC01780077,
CID1570593,
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| Complexity | 432 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 321.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 321.329g/mol |
| Monoisotopic Mass | 321.121g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 90.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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