3-azanyl-4-methyl-5-[(3-nitrophenyl)carbonylamino]benzenesulfonic acid

Systemtic Name: 3-azanyl-4-methyl-5-[(3-nitrophenyl)carbonylamino]benzenesulfonic acid Openeye Name: 3-amino-4-methyl-5-[(3-nitrobenzoyl)amino]benzenesulfonic acid CAS Name: 3-amino-4-methyl-5-[[(3-nitrophenyl)-oxomethyl]amino]benzenesulfonic acid IUPAC Name: 3-amino-4-methyl-5-[(3-nitrobenzoyl)amino]benzenesulfonic acid Traditional Name: 3-amino-4-methyl-5-[(3-nitrobenzoyl)amino]besylic acid Formula: C14H13N3O6S MolecularWeight: 351.33452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1N)S(=O)(=O)O)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1N)S(=O)(=O)O)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O6S/c1-8-12(15)6-11(24(21,22)23)7-13(8)16-14(18)9-3-2-4-10(5-9)17(19)20/h2-7H,15H2,1H3,(H,16,18)(H,21,22,23)