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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O5S/c1-24-17(21)12-5-3-11(4-6-12)10-18-16(20)13-7-8-15(25-2)14(9-13)19(22)23/h3-9H,10H2,1-2H3,(H,18,20)