[4-[(E)-2-cyano-3-[(4-iodophenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] benzoate

Systemtic Name: [4-[(E)-2-cyano-3-[(4-iodophenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] benzoate Openeye Name: [4-[(E)-2-cyano-3-(4-iodoanilino)-3-oxo-prop-1-enyl]phenyl] benzoate CAS Name: benzoic acid [4-[(E)-2-cyano-3-(4-iodoanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(4-iodoanilino)-3-oxoprop-1-enyl]phenyl] benzoate Traditional Name: benzoic acid [4-[(E)-2-cyano-3-(4-iodoanilino)-3-keto-prop-1-enyl]phenyl] ester Formula: C23H15IN2O3 MolecularWeight: 494.28127

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=CC=C(C=C3)I

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)I

InChI

InChI=1S/C23H15IN2O3/c24-19-8-10-20(11-9-19)26-22(27)18(15-25)14-16-6-12-21(13-7-16)29-23(28)17-4-2-1-3-5-17/h1-14H,(H,26,27)/b18-14+