(4-azanyl-3-nitro-phenyl) 4-imidazol-1-ylbenzenesulfonate

Systemtic Name: (4-azanyl-3-nitro-phenyl) 4-imidazol-1-ylbenzenesulfonate Openeye Name: (4-amino-3-nitro-phenyl) 4-imidazol-1-ylbenzenesulfonate CAS Name: 4-(1-imidazolyl)benzenesulfonic acid (4-amino-3-nitrophenyl) ester IUPAC Name: (4-amino-3-nitrophenyl) 4-imidazol-1-ylbenzenesulfonate Traditional Name: 4-imidazol-1-ylbenzenesulfonic acid (4-amino-3-nitro-phenyl) ester Formula: C15H12N4O5S MolecularWeight: 360.34458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C=CN=C2)S(=O)(=O)OC3=CC(=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N2C=CN=C2)S(=O)(=O)OC3=CC(=C(C=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C15H12N4O5S/c16-14-6-3-12(9-15(14)19(20)21)24-25(22,23)13-4-1-11(2-5-13)18-8-7-17-10-18/h1-10H,16H2