3-[(6E)-2-azanyl-3-cyano-6-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]cyclohexane-1-carboxylic acid

Systemtic Name: 3-[(6E)-2-azanyl-3-cyano-6-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]cyclohexane-1-carboxylic acid Openeye Name: 3-[(6E)-2-amino-3-cyano-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]cyclohexanecarboxylic acid CAS Name: 3-[(6E)-2-amino-3-cyano-6-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-pyridin-4-yl]-1-cyclohexanecarboxylic acid IUPAC Name: 3-[(6E)-2-amino-3-cyano-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]cyclohexane-1-carboxylic acid Traditional Name: 3-[(6E)-2-amino-3-cyano-6-(6-ketocyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]cyclohexanecarboxylic acid Formula: C19H19N3O3 MolecularWeight: 337.37246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)C(=O)O)C2=CC(=C3C=CC=CC3=O)NC(=C2C#N)N

Isomeric SMILES

C1CC(CC(C1)C(=O)O)C2=C/C(=C\3/C=CC=CC3=O)/NC(=C2C#N)N

InChI

InChI=1S/C19H19N3O3/c20-10-15-14(11-4-3-5-12(8-11)19(24)25)9-16(22-18(15)21)13-6-1-2-7-17(13)23/h1-2,6-7,9,11-12,22H,3-5,8,21H2,(H,24,25)/b16-13+