ethyl 1-(2-methylpropoxycarbonyloxy)-6-nitro-benzimidazole-2-carboxylate

Systemtic Name: ethyl 1-(2-methylpropoxycarbonyloxy)-6-nitro-benzimidazole-2-carboxylate Openeye Name: ethyl 1-isobutoxycarbonyloxy-6-nitro-benzimidazole-2-carboxylate CAS Name: 1-[2-methylpropoxy(oxo)methoxy]-6-nitro-2-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-methylpropoxycarbonyloxy)-6-nitrobenzimidazole-2-carboxylate Traditional Name: 1-isobutoxycarbonyloxy-6-nitro-benzimidazole-2-carboxylic acid ethyl ester Formula: C15H17N3O7 MolecularWeight: 351.31138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=C(N1OC(=O)OCC(C)C)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NC2=C(N1OC(=O)OCC(C)C)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O7/c1-4-23-14(19)13-16-11-6-5-10(18(21)22)7-12(11)17(13)25-15(20)24-8-9(2)3/h5-7,9H,4,8H2,1-3H3