4-[(4-methyl-3-nitro-phenyl)carbonylamino]benzenesulfonic acid

Systemtic Name: 4-[(4-methyl-3-nitro-phenyl)carbonylamino]benzenesulfonic acid Openeye Name: 4-[(4-methyl-3-nitro-benzoyl)amino]benzenesulfonic acid CAS Name: 4-[[(4-methyl-3-nitrophenyl)-oxomethyl]amino]benzenesulfonic acid IUPAC Name: 4-[(4-methyl-3-nitrobenzoyl)amino]benzenesulfonic acid Traditional Name: 4-[(4-methyl-3-nitro-benzoyl)amino]besylic acid Formula: C14H12N2O6S MolecularWeight: 336.31988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H12N2O6S/c1-9-2-3-10(8-13(9)16(18)19)14(17)15-11-4-6-12(7-5-11)23(20,21)22/h2-8H,1H3,(H,15,17)(H,20,21,22)