3-(2-azanylbenzimidazol-1-yl)-2-nitro-benzenesulfonic acid

Systemtic Name: 3-(2-azanylbenzimidazol-1-yl)-2-nitro-benzenesulfonic acid Openeye Name: 3-(2-aminobenzimidazol-1-yl)-2-nitro-benzenesulfonic acid CAS Name: 3-(2-amino-1-benzimidazolyl)-2-nitrobenzenesulfonic acid IUPAC Name: 3-(2-aminobenzimidazol-1-yl)-2-nitrobenzenesulfonic acid Traditional Name: 3-(2-aminobenzimidazol-1-yl)-2-nitro-besylic acid Formula: C13H10N4O5S MolecularWeight: 334.3073

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2C3=C(C(=CC=C3)S(=O)(=O)O)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2C3=C(C(=CC=C3)S(=O)(=O)O)[N+](=O)[O-])N

InChI

InChI=1S/C13H10N4O5S/c14-13-15-8-4-1-2-5-9(8)16(13)10-6-3-7-11(23(20,21)22)12(10)17(18)19/h1-7H,(H2,14,15)(H,20,21,22)