2-methoxy-5-[[(4-methylsulfanyl-3-nitro-phenyl)carbonylamino]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[(4-methylsulfanyl-3-nitro-phenyl)carbonylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[(4-methylsulfanyl-3-nitro-benzoyl)amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[[4-(methylthio)-3-nitrophenyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[(4-methylsulfanyl-3-nitrobenzoyl)amino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[[4-(methylthio)-3-nitro-benzoyl]amino]methyl]benzoic acid Formula: C17H16N2O6S MolecularWeight: 376.38374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O6S/c1-25-14-5-3-10(7-12(14)17(21)22)9-18-16(20)11-4-6-15(26-2)13(8-11)19(23)24/h3-8H,9H2,1-2H3,(H,18,20)(H,21,22)