4-(4-acetamidophenyl)-3-nitro-2-sulfanyl-benzoic acid

Systemtic Name: 4-(4-acetamidophenyl)-3-nitro-2-sulfanyl-benzoic acid Openeye Name: 4-(4-acetamidophenyl)-3-nitro-2-sulfanyl-benzoic acid CAS Name: 4-(4-acetamidophenyl)-2-mercapto-3-nitrobenzoic acid IUPAC Name: 4-(4-acetamidophenyl)-3-nitro-2-sulfanylbenzoic acid Traditional Name: 4-(4-acetamidophenyl)-2-mercapto-3-nitro-benzoic acid Formula: C15H12N2O5S MolecularWeight: 332.33118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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