2-acetamido-5-(2-nitrophenyl)sulfanyl-benzoic acid

Systemtic Name: 2-acetamido-5-(2-nitrophenyl)sulfanyl-benzoic acid Openeye Name: 2-acetamido-5-(2-nitrophenyl)sulfanyl-benzoic acid CAS Name: 2-acetamido-5-[(2-nitrophenyl)thio]benzoic acid IUPAC Name: 2-acetamido-5-(2-nitrophenyl)sulfanylbenzoic acid Traditional Name: 2-acetamido-5-[(2-nitrophenyl)thio]benzoic acid Formula: C15H12N2O5S MolecularWeight: 332.33118

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)SC2=CC=CC=C2[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)SC2=CC=CC=C2[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H12N2O5S/c1-9(18)16-12-7-6-10(8-11(12)15(19)20)23-14-5-3-2-4-13(14)17(21)22/h2-8H,1H3,(H,16,18)(H,19,20)