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

Systemtic Name: methyl 3-[(5-methylsulfanyl-2-nitro-phenyl)carbonylamino]benzoate Openeye Name: methyl 3-[(5-methylsulfanyl-2-nitro-benzoyl)amino]benzoate CAS Name: 3-[[[5-(methylthio)-2-nitrophenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(5-methylsulfanyl-2-nitrobenzoyl)amino]benzoate Traditional Name: 3-[[5-(methylthio)-2-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=C1)NC(=O)C2=C(C=CC(=C2)SC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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