2-[(4-azanyl-2-nitro-phenyl)amino]benzenesulfonate

Systemtic Name: 2-[(4-azanyl-2-nitro-phenyl)amino]benzenesulfonate Openeye Name: 2-(4-amino-2-nitro-anilino)benzenesulfonate CAS Name: 2-(4-amino-2-nitroanilino)benzenesulfonate IUPAC Name: 2-(4-amino-2-nitroanilino)benzenesulfonate Traditional Name: 2-(4-amino-2-nitro-anilino)besylate Formula: C12H10N3O5S- MolecularWeight: 308.2899

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O5S/c13-8-5-6-9(11(7-8)15(16)17)14-10-3-1-2-4-12(10)21(18,19)20/h1-7,14H,13H2,(H,18,19,20)/p-1