4-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzoate

Systemtic Name: 4-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzoate Openeye Name: 4-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzoate CAS Name: 4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoate IUPAC Name: 4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoate Traditional Name: 4-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzoate Formula: C14H11N2O6S- MolecularWeight: 335.31194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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