[4-[(E)-2-cyano-3-(cyclopropylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] pyridine-4-carboxylate

Systemtic Name: [4-[(E)-2-cyano-3-(cyclopropylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] pyridine-4-carboxylate Openeye Name: [4-[(E)-2-cyano-3-(cyclopropylamino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [4-[(E)-2-cyano-3-(cyclopropylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(cyclopropylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [4-[(E)-2-cyano-3-(cyclopropylamino)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C20H17N3O4 MolecularWeight: 363.36668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2CC2)OC(=O)C3=CC=NC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2CC2)OC(=O)C3=CC=NC=C3

InChI

InChI=1S/C20H17N3O4/c1-26-18-11-13(10-15(12-21)19(24)23-16-3-4-16)2-5-17(18)27-20(25)14-6-8-22-9-7-14/h2,5-11,16H,3-4H2,1H3,(H,23,24)/b15-10+