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

Systemtic Name: dimethyl 5-[(4-methylsulfanyl-3-nitro-phenyl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(4-methylsulfanyl-3-nitro-benzoyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[4-(methylthio)-3-nitrophenyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(4-methylsulfanyl-3-nitrobenzoyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[4-(methylthio)-3-nitro-benzoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H16N2O7S MolecularWeight: 404.39384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O7S/c1-26-17(22)11-6-12(18(23)27-2)8-13(7-11)19-16(21)10-4-5-15(28-3)14(9-10)20(24)25/h4-9H,1-3H3,(H,19,21)