[(Z)-2-(2-nitrophenyl)sulfanyl-3-oxidanylidene-1,3-diphenyl-prop-1-enyl] 4-chloranyl-3-nitro-benzoate

Systemtic Name: [(Z)-2-(2-nitrophenyl)sulfanyl-3-oxidanylidene-1,3-diphenyl-prop-1-enyl] 4-chloranyl-3-nitro-benzoate Openeye Name: [(Z)-2-(2-nitrophenyl)sulfanyl-3-oxo-1,3-diphenyl-prop-1-enyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [(Z)-2-[(2-nitrophenyl)thio]-3-oxo-1,3-diphenylprop-1-enyl] ester IUPAC Name: [(Z)-2-(2-nitrophenyl)sulfanyl-3-oxo-1,3-diphenylprop-1-enyl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [(Z)-3-keto-2-[(2-nitrophenyl)thio]-1,3-diphenyl-prop-1-enyl] ester Formula: C28H17ClN2O7S MolecularWeight: 560.96178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C(C(=O)C2=CC=CC=C2)SC3=CC=CC=C3[N+](=O)[O-])OC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)/C(=C(\C(=O)C2=CC=CC=C2)/SC3=CC=CC=C3[N+](=O)[O-])/OC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C28H17ClN2O7S/c29-21-16-15-20(17-23(21)31(36)37)28(33)38-26(19-11-5-2-6-12-19)27(25(32)18-9-3-1-4-10-18)39-24-14-8-7-13-22(24)30(34)35/h1-17H/b27-26-