dimethyl 5-[(4-cyclohexylsulfanyl-3-nitro-phenyl)carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(4-cyclohexylsulfanyl-3-nitro-phenyl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(4-cyclohexylsulfanyl-3-nitro-benzoyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[4-(cyclohexylthio)-3-nitrophenyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(4-cyclohexylsulfanyl-3-nitrobenzoyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[4-(cyclohexylthio)-3-nitro-benzoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C23H24N2O7S MolecularWeight: 472.51086

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC(=C(C=C2)SC3CCCCC3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC(=C(C=C2)SC3CCCCC3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C23H24N2O7S/c1-31-22(27)15-10-16(23(28)32-2)12-17(11-15)24-21(26)14-8-9-20(19(13-14)25(29)30)33-18-6-4-3-5-7-18/h8-13,18H,3-7H2,1-2H3,(H,24,26)