[2-[(6-bromanyl-2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxidanylidene-ethyl] 3-nitro-4-[(phenylmethyl)amino]benzoate

Systemtic Name: [2-[(6-bromanyl-2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxidanylidene-ethyl] 3-nitro-4-[(phenylmethyl)amino]benzoate Openeye Name: [2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxo-ethyl] 4-(benzylamino)-3-nitro-benzoate CAS Name: 3-nitro-4-[(phenylmethyl)amino]benzoic acid [2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoethyl] 4-(benzylamino)-3-nitrobenzoate Traditional Name: 4-(benzylamino)-3-nitro-benzoic acid [2-[(6-bromo-2-keto-1,3-dihydrobenzimidazol-5-yl)amino]-2-keto-ethyl] ester Formula: C23H18BrN5O6 MolecularWeight: 540.32292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)C(=O)OCC(=O)NC3=C(C=C4C(=C3)NC(=O)N4)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)C(=O)OCC(=O)NC3=C(C=C4C(=C3)NC(=O)N4)Br)[N+](=O)[O-]

InChI

InChI=1S/C23H18BrN5O6/c24-15-9-18-19(28-23(32)27-18)10-17(15)26-21(30)12-35-22(31)14-6-7-16(20(8-14)29(33)34)25-11-13-4-2-1-3-5-13/h1-10,25H,11-12H2,(H,26,30)(H2,27,28,32)