methyl 3-[(6Z)-2-azanyl-3-cyano-6-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]cyclohexane-1-carboxylate

Systemtic Name: methyl 3-[(6Z)-2-azanyl-3-cyano-6-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]cyclohexane-1-carboxylate Openeye Name: methyl 3-[(6Z)-2-amino-3-cyano-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]cyclohexanecarboxylate CAS Name: 3-[(6Z)-2-amino-3-cyano-6-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-pyridin-4-yl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 3-[(6Z)-2-amino-3-cyano-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]cyclohexane-1-carboxylate Traditional Name: 3-[(6Z)-2-amino-3-cyano-6-(6-ketocyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]cyclohexanecarboxylic acid methyl ester Formula: C20H21N3O3 MolecularWeight: 351.39904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCC(C1)C2=CC(=C3C=CC=CC3=O)NC(=C2C#N)N

Isomeric SMILES

COC(=O)C1CCCC(C1)C2=C/C(=C/3\C=CC=CC3=O)/NC(=C2C#N)N

InChI

InChI=1S/C20H21N3O3/c1-26-20(25)13-6-4-5-12(9-13)15-10-17(23-19(22)16(15)11-21)14-7-2-3-8-18(14)24/h2-3,7-8,10,12-13,23H,4-6,9,22H2,1H3/b17-14-