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

Systemtic Name: [3-[(E)-2-cyano-3-[(3-iodanylphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] naphthalene-1-carboxylate Openeye Name: [3-[(E)-2-cyano-3-(3-iodoanilino)-3-oxo-prop-1-enyl]phenyl] naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic acid [3-[(E)-2-cyano-3-(3-iodoanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [3-[(E)-2-cyano-3-(3-iodoanilino)-3-oxoprop-1-enyl]phenyl] naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid [3-[(E)-2-cyano-3-(3-iodoanilino)-3-keto-prop-1-enyl]phenyl] ester Formula: C27H17IN2O3 MolecularWeight: 544.33995

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C(=O)OC3=CC=CC(=C3)C=C(C#N)C(=O)NC4=CC(=CC=C4)I

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C(=O)OC3=CC=CC(=C3)/C=C(\C#N)/C(=O)NC4=CC(=CC=C4)I

InChI

InChI=1S/C27H17IN2O3/c28-21-9-5-10-22(16-21)30-26(31)20(17-29)14-18-6-3-11-23(15-18)33-27(32)25-13-4-8-19-7-1-2-12-24(19)25/h1-16H,(H,30,31)/b20-14+