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

Systemtic Name: 3-[[4-(dimethylamino)-2-nitro-phenyl]amino]benzenesulfonic acid Openeye Name: 3-[4-(dimethylamino)-2-nitro-anilino]benzenesulfonic acid CAS Name: 3-[4-(dimethylamino)-2-nitroanilino]benzenesulfonic acid IUPAC Name: 3-[4-(dimethylamino)-2-nitroanilino]benzenesulfonic acid Traditional Name: 3-[4-(dimethylamino)-2-nitro-anilino]besylic acid Formula: C14H15N3O5S MolecularWeight: 337.351

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O5S/c1-16(2)11-6-7-13(14(9-11)17(18)19)15-10-4-3-5-12(8-10)23(20,21)22/h3-9,15H,1-2H3,(H,20,21,22)