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

Systemtic Name: [4-[(E)-2-cyano-3-[(3-iodanylphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] ethanoate Openeye Name: [4-[(E)-2-cyano-3-(3-iodoanilino)-3-oxo-prop-1-enyl]phenyl] acetate CAS Name: acetic acid [4-[(E)-2-cyano-3-(3-iodoanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(3-iodoanilino)-3-oxoprop-1-enyl]phenyl] acetate Traditional Name: acetic acid [4-[(E)-2-cyano-3-(3-iodoanilino)-3-keto-prop-1-enyl]phenyl] ester Formula: C18H13IN2O3 MolecularWeight: 432.21189

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=CC(=CC=C2)I

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC(=CC=C2)I

InChI

InChI=1S/C18H13IN2O3/c1-12(22)24-17-7-5-13(6-8-17)9-14(11-20)18(23)21-16-4-2-3-15(19)10-16/h2-10H,1H3,(H,21,23)/b14-9+