ethyl 2-azanyl-4-(4-chlorophenyl)-5-cyano-6-oxidanylidene-1-[(6-oxidanylidenecyclohexen-1-yl)amino]pyridine-3-carboxylate

Systemtic Name: ethyl 2-azanyl-4-(4-chlorophenyl)-5-cyano-6-oxidanylidene-1-[(6-oxidanylidenecyclohexen-1-yl)amino]pyridine-3-carboxylate Openeye Name: ethyl 2-amino-4-(4-chlorophenyl)-5-cyano-6-oxo-1-[(6-oxocyclohexen-1-yl)amino]pyridine-3-carboxylate CAS Name: 2-amino-4-(4-chlorophenyl)-5-cyano-6-oxo-1-[(6-oxo-1-cyclohexenyl)amino]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-(4-chlorophenyl)-5-cyano-6-oxo-1-[(6-oxocyclohexen-1-yl)amino]pyridine-3-carboxylate Traditional Name: 2-amino-4-(4-chlorophenyl)-5-cyano-6-keto-1-[(6-ketocyclohexen-1-yl)amino]nicotinic acid ethyl ester Formula: C21H19ClN4O4 MolecularWeight: 426.85296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)C(=C1C2=CC=C(C=C2)Cl)C#N)NC3=CCCCC3=O)N

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)C(=C1C2=CC=C(C=C2)Cl)C#N)NC3=CCCCC3=O)N

InChI

InChI=1S/C21H19ClN4O4/c1-2-30-21(29)18-17(12-7-9-13(22)10-8-12)14(11-23)20(28)26(19(18)24)25-15-5-3-4-6-16(15)27/h5,7-10,25H,2-4,6,24H2,1H3