ethyl 1,2-bis(azanyl)-5-cyano-6-oxidanylidene-4-(4-phenylmethoxyphenyl)pyridine-3-carboxylate

Systemtic Name: ethyl 1,2-bis(azanyl)-5-cyano-6-oxidanylidene-4-(4-phenylmethoxyphenyl)pyridine-3-carboxylate Openeye Name: ethyl 1,2-diamino-4-(4-benzyloxyphenyl)-5-cyano-6-oxo-pyridine-3-carboxylate CAS Name: 1,2-diamino-5-cyano-6-oxo-4-(4-phenylmethoxyphenyl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 1,2-diamino-5-cyano-6-oxo-4-(4-phenylmethoxyphenyl)pyridine-3-carboxylate Traditional Name: 1,2-diamino-4-(4-benzoxyphenyl)-5-cyano-6-keto-nicotinic acid ethyl ester Formula: C22H20N4O4 MolecularWeight: 404.4186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)C(=C1C2=CC=C(C=C2)OCC3=CC=CC=C3)C#N)N)N

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)C(=C1C2=CC=C(C=C2)OCC3=CC=CC=C3)C#N)N)N

InChI

InChI=1S/C22H20N4O4/c1-2-29-22(28)19-18(17(12-23)21(27)26(25)20(19)24)15-8-10-16(11-9-15)30-13-14-6-4-3-5-7-14/h3-11H,2,13,24-25H2,1H3