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

Systemtic Name: 3-methyl-4-[(5-methylsulfanyl-2-nitro-phenyl)carbonylamino]benzoic acid Openeye Name: 3-methyl-4-[(5-methylsulfanyl-2-nitro-benzoyl)amino]benzoic acid CAS Name: 3-methyl-4-[[[5-(methylthio)-2-nitrophenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[(5-methylsulfanyl-2-nitrobenzoyl)amino]benzoic acid Traditional Name: 3-methyl-4-[[5-(methylthio)-2-nitro-benzoyl]amino]benzoic acid Formula: C16H14N2O5S MolecularWeight: 346.35776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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