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

Systemtic Name: [4-[(E)-2-cyano-3-(2,3-dihydroindol-1-yl)-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] 2-chloranylbenzoate Openeye Name: [4-[(E)-2-cyano-3-indolin-1-yl-3-oxo-prop-1-enyl]-2-ethoxy-phenyl] 2-chlorobenzoate CAS Name: 2-chlorobenzoic 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] 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid [4-[(E)-2-cyano-3-indolin-1-yl-3-keto-prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C27H21ClN2O4 MolecularWeight: 472.91964

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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=C4Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)N2CCC3=CC=CC=C32)OC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C27H21ClN2O4/c1-2-33-25-16-18(11-12-24(25)34-27(32)21-8-4-5-9-22(21)28)15-20(17-29)26(31)30-14-13-19-7-3-6-10-23(19)30/h3-12,15-16H,2,13-14H2,1H3/b20-15+