2-[(4-aminophenyl)amino]-5-nitro-benzenesulfonate

Systemtic Name: 2-[(4-aminophenyl)amino]-5-nitro-benzenesulfonate Openeye Name: 2-(4-aminoanilino)-5-nitro-benzenesulfonate CAS Name: 2-(4-aminoanilino)-5-nitrobenzenesulfonate IUPAC Name: 2-(4-aminoanilino)-5-nitrobenzenesulfonate Traditional Name: 2-(4-aminoanilino)-5-nitro-besylate Formula: C12H10N3O5S- MolecularWeight: 308.2899

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N)NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N)NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)[O-]

InChI

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