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

Systemtic Name: [4-[(E)-2-cyano-3-[(3-iodanylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] ethanoate Openeye Name: [4-[(E)-2-cyano-3-(3-iodoanilino)-3-oxo-prop-1-enyl]-2-ethoxy-phenyl] acetate CAS Name: acetic acid [4-[(E)-2-cyano-3-(3-iodoanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(3-iodoanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] acetate Traditional Name: acetic acid [4-[(E)-2-cyano-3-(3-iodoanilino)-3-keto-prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C20H17IN2O4 MolecularWeight: 476.26445

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC(=CC=C2)I)OC(=O)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC(=CC=C2)I)OC(=O)C

InChI

InChI=1S/C20H17IN2O4/c1-3-26-19-10-14(7-8-18(19)27-13(2)24)9-15(12-22)20(25)23-17-6-4-5-16(21)11-17/h4-11H,3H2,1-2H3,(H,23,25)/b15-9+