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

Systemtic Name: 3-methyl-4-[2-(4-nitrophenyl)sulfanylethanoylamino]benzoic acid Openeye Name: 3-methyl-4-[[2-(4-nitrophenyl)sulfanylacetyl]amino]benzoic acid CAS Name: 3-methyl-4-[[2-[(4-nitrophenyl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[[2-(4-nitrophenyl)sulfanylacetyl]amino]benzoic acid Traditional Name: 3-methyl-4-[[2-[(4-nitrophenyl)thio]acetyl]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)CSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O5S/c1-10-8-11(16(20)21)2-7-14(10)17-15(19)9-24-13-5-3-12(4-6-13)18(22)23/h2-8H,9H2,1H3,(H,17,19)(H,20,21)