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

Systemtic Name: methyl (3E)-3-[2-azanyl-6-(4-chlorophenyl)-3-cyano-1H-pyridin-4-ylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylate Openeye Name: methyl (3E)-3-[2-amino-6-(4-chlorophenyl)-3-cyano-1H-pyridin-4-ylidene]-6-oxo-cyclohexa-1,4-diene-1-carboxylate CAS Name: (3E)-3-[2-amino-6-(4-chlorophenyl)-3-cyano-1H-pyridin-4-ylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxylic acid methyl ester IUPAC Name: methyl (3E)-3-[2-amino-6-(4-chlorophenyl)-3-cyano-1H-pyridin-4-ylidene]-6-oxocyclohexa-1,4-diene-1-carboxylate Traditional Name: (3E)-3-[2-amino-6-(4-chlorophenyl)-3-cyano-1H-pyridin-4-ylidene]-6-keto-cyclohexa-1,4-diene-1-carboxylic acid methyl ester Formula: C20H14ClN3O3 MolecularWeight: 379.79646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14ClN3O3/c1-27-20(26)15-8-12(4-7-18(15)25)14-9-17(24-19(23)16(14)10-22)11-2-5-13(21)6-3-11/h2-9,24H,23H2,1H3/b14-12+