[4-[(E)-3-(4-chlorophenyl)-3-oxidanylidene-prop-1-enyl]phenyl] pyridine-3-carboxylate

Systemtic Name: [4-[(E)-3-(4-chlorophenyl)-3-oxidanylidene-prop-1-enyl]phenyl] pyridine-3-carboxylate Openeye Name: [4-[(E)-3-(4-chlorophenyl)-3-oxo-prop-1-enyl]phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]phenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [4-[(E)-3-(4-chlorophenyl)-3-keto-prop-1-enyl]phenyl] ester Formula: C21H14ClNO3 MolecularWeight: 363.79376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)OC2=CC=C(C=C2)C=CC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC(=CN=C1)C(=O)OC2=CC=C(C=C2)/C=C/C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H14ClNO3/c22-18-8-6-16(7-9-18)20(24)12-5-15-3-10-19(11-4-15)26-21(25)17-2-1-13-23-14-17/h1-14H/b12-5+