methyl 4-methyl-3-[(4-methylsulfanyl-3-nitro-phenyl)carbonylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[(4-methylsulfanyl-3-nitro-phenyl)carbonylamino]benzoate Openeye Name: methyl 4-methyl-3-[(4-methylsulfanyl-3-nitro-benzoyl)amino]benzoate CAS Name: 4-methyl-3-[[[4-(methylthio)-3-nitrophenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[(4-methylsulfanyl-3-nitrobenzoyl)amino]benzoate Traditional Name: 4-methyl-3-[[4-(methylthio)-3-nitro-benzoyl]amino]benzoic acid methyl ester Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O5S/c1-10-4-5-12(17(21)24-2)8-13(10)18-16(20)11-6-7-15(25-3)14(9-11)19(22)23/h4-9H,1-3H3,(H,18,20)