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

Systemtic Name: [4-[(E)-2-cyano-3-[(3-iodanylphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] furan-2-carboxylate Openeye Name: [4-[(E)-2-cyano-3-(3-iodoanilino)-3-oxo-prop-1-enyl]phenyl] furan-2-carboxylate CAS Name: 2-furancarboxylic 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] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [4-[(E)-2-cyano-3-(3-iodoanilino)-3-keto-prop-1-enyl]phenyl] ester Formula: C21H13IN2O4 MolecularWeight: 484.24339

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)I)NC(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=CC=CO3)C#N

Isomeric SMILES

C1=CC(=CC(=C1)I)NC(=O)/C(=C/C2=CC=C(C=C2)OC(=O)C3=CC=CO3)/C#N

InChI

InChI=1S/C21H13IN2O4/c22-16-3-1-4-17(12-16)24-20(25)15(13-23)11-14-6-8-18(9-7-14)28-21(26)19-5-2-10-27-19/h1-12H,(H,24,25)/b15-11+