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

Systemtic Name: [4-[(E)-2-cyano-3-[(3-iodanylphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 3-nitrobenzoate Openeye Name: [4-[(E)-2-cyano-3-(3-iodoanilino)-3-oxo-prop-1-enyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic 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] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(E)-2-cyano-3-(3-iodoanilino)-3-keto-prop-1-enyl]phenyl] ester Formula: C23H14IN3O5 MolecularWeight: 539.27883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=CC(=CC=C3)I

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)/C=C(\C#N)/C(=O)NC3=CC(=CC=C3)I

InChI

InChI=1S/C23H14IN3O5/c24-18-4-2-5-19(13-18)26-22(28)17(14-25)11-15-7-9-21(10-8-15)32-23(29)16-3-1-6-20(12-16)27(30)31/h1-13H,(H,26,28)/b17-11+