4-[(4-aminophenyl)sulfonylmethyl]-3-nitro-benzoic acid

Systemtic Name: 4-[(4-aminophenyl)sulfonylmethyl]-3-nitro-benzoic acid Openeye Name: 4-[(4-aminophenyl)sulfonylmethyl]-3-nitro-benzoic acid CAS Name: 4-[(4-aminophenyl)sulfonylmethyl]-3-nitrobenzoic acid IUPAC Name: 4-[(4-aminophenyl)sulfonylmethyl]-3-nitrobenzoic acid Traditional Name: 3-nitro-4-(sulfanilylmethyl)benzoic acid Formula: C14H12N2O6S MolecularWeight: 336.31988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N)S(=O)(=O)CC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N)S(=O)(=O)CC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H12N2O6S/c15-11-3-5-12(6-4-11)23(21,22)8-10-2-1-9(14(17)18)7-13(10)16(19)20/h1-7H,8,15H2,(H,17,18)