| CAS Number | 915369-16-3 |
| Catalog Number | AG00IGR0(AGN-PC-0WG445) |
| Chemical Name | Ethyl 2-cyano-3-((2-(dimethylcarbamoyl)-4-nitrophenyl)imino)propanoate |
| IUPAC Name | ethyl 2-cyano-3-[2-(dimethylcarbamoyl)-4-nitrophenyl]iminopropanoate |
| InChI | InChI=1S/C15H16N4O5/c1-4-24-15(21)10(8-16)9-17-13-6-5-11(19(22)23)7-12(13)14(20)18(2)3/h5-7,9-10H,4H2,1-3H3 |
| InChI Key | RJFSNHZJCZUORQ-UHFFFAOYSA-N |
| MDL Number | MFCD28991955 |
| Molecular Formula | C15H16N4O5 |
| Molecular Weight | 332.3113 |
| SMILES | CCOC(=O)C(C=Nc1ccc(cc1C(=O)N(C)C)[N+]([O-])=O)C#N |
| Synonyms | Ethyl 2-cyano-3-((2-(dimethylcarbamoyl)-4-nitrophenyl)imino)propanoate,
915369-16-3,
MFCD28991955,
AKOS027255827,
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| Complexity | 560 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 332.112g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 332.316g/mol |
| Monoisotopic Mass | 332.112g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 129A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number