3-nitro-4-[(phenylmethyl)amino]-5-sulfamoyl-benzoic acid

Systemtic Name: 3-nitro-4-[(phenylmethyl)amino]-5-sulfamoyl-benzoic acid Openeye Name: 4-(benzylamino)-3-nitro-5-sulfamoyl-benzoic acid CAS Name: 3-nitro-4-[(phenylmethyl)amino]-5-sulfamoylbenzoic acid IUPAC Name: 4-(benzylamino)-3-nitro-5-sulfamoylbenzoic acid Traditional Name: 4-(benzylamino)-3-nitro-5-sulfamoyl-benzoic acid Formula: C14H13N3O6S MolecularWeight: 351.33452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O6S/c15-24(22,23)12-7-10(14(18)19)6-11(17(20)21)13(12)16-8-9-4-2-1-3-5-9/h1-7,16H,8H2,(H,18,19)(H2,15,22,23)