[2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 2-(4-nitrophenyl)sulfanylbenzoate

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 2-(4-nitrophenyl)sulfanylbenzoate Openeye Name: [2-(4-nitrophenyl)-2-oxo-ethyl] 2-(4-nitrophenyl)sulfanylbenzoate CAS Name: 2-[(4-nitrophenyl)thio]benzoic acid [2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] 2-(4-nitrophenyl)sulfanylbenzoate Traditional Name: 2-[(4-nitrophenyl)thio]benzoic acid [2-keto-2-(4-nitrophenyl)ethyl] ester Formula: C21H14N2O7S MolecularWeight: 438.41006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H14N2O7S/c24-19(14-5-7-15(8-6-14)22(26)27)13-30-21(25)18-3-1-2-4-20(18)31-17-11-9-16(10-12-17)23(28)29/h1-12H,13H2