[4-[(E)-2-cyano-3-(2,3-dihydroindol-1-yl)-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] 3-nitrobenzoate

Systemtic Name: [4-[(E)-2-cyano-3-(2,3-dihydroindol-1-yl)-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] 3-nitrobenzoate Openeye Name: [4-[(E)-2-cyano-3-indolin-1-yl-3-oxo-prop-1-enyl]-2-ethoxy-phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(E)-2-cyano-3-(2,3-dihydroindol-1-yl)-3-oxoprop-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(2,3-dihydroindol-1-yl)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(E)-2-cyano-3-indolin-1-yl-3-keto-prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C27H21N3O6 MolecularWeight: 483.47214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)N2CCC3=CC=CC=C32)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)N2CCC3=CC=CC=C32)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H21N3O6/c1-2-35-25-15-18(10-11-24(25)36-27(32)20-7-5-8-22(16-20)30(33)34)14-21(17-28)26(31)29-13-12-19-6-3-4-9-23(19)29/h3-11,14-16H,2,12-13H2,1H3/b21-14+