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

Systemtic Name: [2-[(6-bromanyl-2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic 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-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-[(6-bromo-2-keto-1,3-dihydrobenzimidazol-5-yl)amino]-2-keto-ethyl] ester Formula: C16H12BrN5O6 MolecularWeight: 450.20038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)OCC(=O)NC2=C(C=C3C(=C2)NC(=O)N3)Br)[N+](=O)[O-])N

Isomeric SMILES

C1=CC(=C(C=C1C(=O)OCC(=O)NC2=C(C=C3C(=C2)NC(=O)N3)Br)[N+](=O)[O-])N

InChI

InChI=1S/C16H12BrN5O6/c17-8-4-11-12(21-16(25)20-11)5-10(8)19-14(23)6-28-15(24)7-1-2-9(18)13(3-7)22(26)27/h1-5H,6,18H2,(H,19,23)(H2,20,21,25)