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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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