[3-(1H-benzimidazol-2-yl)-4-nitro-phenyl] 2,2-dimethylpropanoate

Systemtic Name: [3-(1H-benzimidazol-2-yl)-4-nitro-phenyl] 2,2-dimethylpropanoate Openeye Name: [3-(1H-benzimidazol-2-yl)-4-nitro-phenyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [3-(1H-benzimidazol-2-yl)-4-nitrophenyl] ester IUPAC Name: [3-(1H-benzimidazol-2-yl)-4-nitrophenyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [3-(1H-benzimidazol-2-yl)-4-nitro-phenyl] ester Formula: C18H17N3O4 MolecularWeight: 339.34528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1=CC(=C(C=C1)[N+](=O)[O-])C2=NC3=CC=CC=C3N2

Isomeric SMILES

CC(C)(C)C(=O)OC1=CC(=C(C=C1)[N+](=O)[O-])C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C18H17N3O4/c1-18(2,3)17(22)25-11-8-9-15(21(23)24)12(10-11)16-19-13-6-4-5-7-14(13)20-16/h4-10H,1-3H3,(H,19,20)