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

Systemtic Name: 2-[(2-azanyl-4-nitro-phenyl)amino]benzenesulfonate Openeye Name: 2-(2-amino-4-nitro-anilino)benzenesulfonate CAS Name: 2-(2-amino-4-nitroanilino)benzenesulfonate IUPAC Name: 2-(2-amino-4-nitroanilino)benzenesulfonate Traditional Name: 2-(2-amino-4-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+](=O)[O-])N)S(=O)(=O)[O-]

Isomeric SMILES

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

InChI

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