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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=CC(=C(C=C2)N)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC2=CC(=C(C=C2)N)[N+](=O)[O-])S(=O)(=O)O

InChI

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