[2-(4-chloranyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-(4-nitrophenyl)sulfanylbenzoate

Systemtic Name: [2-(4-chloranyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-(4-nitrophenyl)sulfanylbenzoate Openeye Name: [2-(4-chloro-3-nitro-phenyl)-2-oxo-ethyl] 2-(4-nitrophenyl)sulfanylbenzoate CAS Name: 2-[(4-nitrophenyl)thio]benzoic acid [2-(4-chloro-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-nitrophenyl)-2-oxoethyl] 2-(4-nitrophenyl)sulfanylbenzoate Traditional Name: 2-[(4-nitrophenyl)thio]benzoic acid [2-(4-chloro-3-nitro-phenyl)-2-keto-ethyl] ester Formula: C21H13ClN2O7S MolecularWeight: 472.85512

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H13ClN2O7S/c22-17-10-5-13(11-18(17)24(29)30)19(25)12-31-21(26)16-3-1-2-4-20(16)32-15-8-6-14(7-9-15)23(27)28/h1-11H,12H2