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

Systemtic Name: methyl 2-[(4-methylsulfanyl-3-nitro-phenyl)carbonylamino]benzoate Openeye Name: methyl 2-[(4-methylsulfanyl-3-nitro-benzoyl)amino]benzoate CAS Name: 2-[[[4-(methylthio)-3-nitrophenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(4-methylsulfanyl-3-nitrobenzoyl)amino]benzoate Traditional Name: 2-[[4-(methylthio)-3-nitro-benzoyl]amino]benzoic acid methyl ester Formula: C16H14N2O5S MolecularWeight: 346.35776

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O5S/c1-23-16(20)11-5-3-4-6-12(11)17-15(19)10-7-8-14(24-2)13(9-10)18(21)22/h3-9H,1-2H3,(H,17,19)