4-[(4-methoxyphenyl)amino]-3-nitro-benzenesulfonate

Systemtic Name: 4-[(4-methoxyphenyl)amino]-3-nitro-benzenesulfonate Openeye Name: 4-(4-methoxyanilino)-3-nitro-benzenesulfonate CAS Name: 4-(4-methoxyanilino)-3-nitrobenzenesulfonate IUPAC Name: 4-(4-methoxyanilino)-3-nitrobenzenesulfonate Traditional Name: 3-nitro-4-(p-anisidino)besylate Formula: C13H11N2O6S- MolecularWeight: 323.30124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O6S/c1-21-10-4-2-9(3-5-10)14-12-7-6-11(22(18,19)20)8-13(12)15(16)17/h2-8,14H,1H3,(H,18,19,20)/p-1