3-[(4-azanyl-2-nitro-phenyl)amino]benzenesulfonic acid

Systemtic Name: 3-[(4-azanyl-2-nitro-phenyl)amino]benzenesulfonic acid Openeye Name: 3-(4-amino-2-nitro-anilino)benzenesulfonic acid CAS Name: 3-(4-amino-2-nitroanilino)benzenesulfonic acid IUPAC Name: 3-(4-amino-2-nitroanilino)benzenesulfonic acid Traditional Name: 3-(4-amino-2-nitro-anilino)besylic acid Formula: C12H11N3O5S MolecularWeight: 309.29784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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