methyl (3E)-3-(2-azanyl-3-cyano-6-phenyl-1H-pyridin-4-ylidene)-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylate

Systemtic Name: methyl (3E)-3-(2-azanyl-3-cyano-6-phenyl-1H-pyridin-4-ylidene)-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylate Openeye Name: methyl (3E)-3-(2-amino-3-cyano-6-phenyl-1H-pyridin-4-ylidene)-6-oxo-cyclohexa-1,4-diene-1-carboxylate CAS Name: (3E)-3-(2-amino-3-cyano-6-phenyl-1H-pyridin-4-ylidene)-6-oxo-1-cyclohexa-1,4-dienecarboxylic acid methyl ester IUPAC Name: methyl (3E)-3-(2-amino-3-cyano-6-phenyl-1H-pyridin-4-ylidene)-6-oxocyclohexa-1,4-diene-1-carboxylate Traditional Name: (3E)-3-(2-amino-3-cyano-6-phenyl-1H-pyridin-4-ylidene)-6-keto-cyclohexa-1,4-diene-1-carboxylic acid methyl ester Formula: C20H15N3O3 MolecularWeight: 345.3514

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C2C=C(NC(=C2C#N)N)C3=CC=CC=C3)C=CC1=O

Isomeric SMILES

COC(=O)C1=C/C(=C/2\C=C(NC(=C2C#N)N)C3=CC=CC=C3)/C=CC1=O

InChI

InChI=1S/C20H15N3O3/c1-26-20(25)15-9-13(7-8-18(15)24)14-10-17(12-5-3-2-4-6-12)23-19(22)16(14)11-21/h2-10,23H,22H2,1H3/b14-13+