[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 1,3-bis(oxidanylidene)-2-(2-sulfanylphenyl)isoindole-5-carboxylate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 1,3-bis(oxidanylidene)-2-(2-sulfanylphenyl)isoindole-5-carboxylate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 1,3-dioxo-2-(2-sulfanylphenyl)isoindoline-5-carboxylate CAS Name: 2-(2-mercaptophenyl)-1,3-dioxo-5-isoindolecarboxylic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 1,3-dioxo-2-(2-sulfanylphenyl)isoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(2-mercaptophenyl)isoindoline-5-carboxylic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C23H14N2O7S MolecularWeight: 462.43146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)C4=CC(=CC=C4)[N+](=O)[O-])S

Isomeric SMILES

C1=CC=C(C(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)C4=CC(=CC=C4)[N+](=O)[O-])S

InChI

InChI=1S/C23H14N2O7S/c26-19(13-4-3-5-15(10-13)25(30)31)12-32-23(29)14-8-9-16-17(11-14)22(28)24(21(16)27)18-6-1-2-7-20(18)33/h1-11,33H,12H2