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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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