3-methyl-4-[2-(4-nitrophenyl)sulfanylpropanoylamino]benzoic acid

Systemtic Name: 3-methyl-4-[2-(4-nitrophenyl)sulfanylpropanoylamino]benzoic acid Openeye Name: 3-methyl-4-[2-(4-nitrophenyl)sulfanylpropanoylamino]benzoic acid CAS Name: 3-methyl-4-[[2-[(4-nitrophenyl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[2-(4-nitrophenyl)sulfanylpropanoylamino]benzoic acid Traditional Name: 3-methyl-4-[2-[(4-nitrophenyl)thio]propanoylamino]benzoic acid Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C(C)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C(C)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

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