2-azanyl-5-[(4-nitrophenyl)carbamoyl]benzenesulfonic acid

Systemtic Name: 2-azanyl-5-[(4-nitrophenyl)carbamoyl]benzenesulfonic acid Openeye Name: 2-amino-5-[(4-nitrophenyl)carbamoyl]benzenesulfonic acid CAS Name: 2-amino-5-[(4-nitroanilino)-oxomethyl]benzenesulfonic acid IUPAC Name: 2-amino-5-[(4-nitrophenyl)carbamoyl]benzenesulfonic acid Traditional Name: 2-amino-5-[(4-nitrophenyl)carbamoyl]besylic acid Formula: C13H11N3O6S MolecularWeight: 337.30794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=CC(=C(C=C2)N)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=CC(=C(C=C2)N)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O6S/c14-11-6-1-8(7-12(11)23(20,21)22)13(17)15-9-2-4-10(5-3-9)16(18)19/h1-7H,14H2,(H,15,17)(H,20,21,22)