[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3-nitro-4-phenylsulfanyl-benzoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3-nitro-4-phenylsulfanyl-benzoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 3-nitro-4-phenylsulfanyl-benzoate CAS Name: 3-nitro-4-(phenylthio)benzoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 3-nitro-4-phenylsulfanylbenzoate Traditional Name: 3-nitro-4-(phenylthio)benzoic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C21H14BrNO5S MolecularWeight: 472.30856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H14BrNO5S/c22-16-9-6-14(7-10-16)19(24)13-28-21(25)15-8-11-20(18(12-15)23(26)27)29-17-4-2-1-3-5-17/h1-12H,13H2