4-[(3-aminophenyl)amino]-3-nitro-benzenesulfonic acid

Systemtic Name: 4-[(3-aminophenyl)amino]-3-nitro-benzenesulfonic acid Openeye Name: 4-(3-aminoanilino)-3-nitro-benzenesulfonic acid CAS Name: 4-(3-aminoanilino)-3-nitrobenzenesulfonic acid IUPAC Name: 4-(3-aminoanilino)-3-nitrobenzenesulfonic acid Traditional Name: 4-(3-aminoanilino)-3-nitro-besylic acid Formula: C12H11N3O5S MolecularWeight: 309.29784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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