2-[6-acetamido-2-(acetyloxymethyl)-5-methyl-7-nitro-benzimidazol-1-yl]ethyl ethanoate

Systemtic Name: 2-[6-acetamido-2-(acetyloxymethyl)-5-methyl-7-nitro-benzimidazol-1-yl]ethyl ethanoate Openeye Name: 2-[6-acetamido-2-(acetoxymethyl)-5-methyl-7-nitro-benzimidazol-1-yl]ethyl acetate CAS Name: acetic acid 2-[6-acetamido-2-(acetyloxymethyl)-5-methyl-7-nitro-1-benzimidazolyl]ethyl ester IUPAC Name: 2-[6-acetamido-2-(acetyloxymethyl)-5-methyl-7-nitrobenzimidazol-1-yl]ethyl acetate Traditional Name: acetic acid 2-[6-acetamido-2-(acetoxymethyl)-5-methyl-7-nitro-benzimidazol-1-yl]ethyl ester Formula: C17H20N4O7 MolecularWeight: 392.3633

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1NC(=O)C)[N+](=O)[O-])N(C(=N2)COC(=O)C)CCOC(=O)C

Isomeric SMILES

CC1=CC2=C(C(=C1NC(=O)C)[N+](=O)[O-])N(C(=N2)COC(=O)C)CCOC(=O)C

InChI

InChI=1S/C17H20N4O7/c1-9-7-13-16(17(21(25)26)15(9)18-10(2)22)20(5-6-27-11(3)23)14(19-13)8-28-12(4)24/h7H,5-6,8H2,1-4H3,(H,18,22)