4-[(4-acetamidophenyl)amino]-3-nitro-benzenesulfonic acid

Systemtic Name: 4-[(4-acetamidophenyl)amino]-3-nitro-benzenesulfonic acid Openeye Name: 4-(4-acetamidoanilino)-3-nitro-benzenesulfonic acid CAS Name: 4-(4-acetamidoanilino)-3-nitrobenzenesulfonic acid IUPAC Name: 4-(4-acetamidoanilino)-3-nitrobenzenesulfonic acid Traditional Name: 4-(4-acetamidoanilino)-3-nitro-besylic acid Formula: C14H13N3O6S MolecularWeight: 351.33452

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O6S/c1-9(18)15-10-2-4-11(5-3-10)16-13-7-6-12(24(21,22)23)8-14(13)17(19)20/h2-8,16H,1H3,(H,15,18)(H,21,22,23)