methyl 4,5-dimethoxy-2-[(4-methylsulfanyl-3-nitro-phenyl)carbonylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[(4-methylsulfanyl-3-nitro-phenyl)carbonylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[(4-methylsulfanyl-3-nitro-benzoyl)amino]benzoate CAS Name: 4,5-dimethoxy-2-[[[4-(methylthio)-3-nitrophenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[(4-methylsulfanyl-3-nitrobenzoyl)amino]benzoate Traditional Name: 4,5-dimethoxy-2-[[4-(methylthio)-3-nitro-benzoyl]amino]benzoic acid methyl ester Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-])OC

InChI

InChI=1S/C18H18N2O7S/c1-25-14-8-11(18(22)27-3)12(9-15(14)26-2)19-17(21)10-5-6-16(28-4)13(7-10)20(23)24/h5-9H,1-4H3,(H,19,21)