[5-azanyl-1,6-dimethyl-4,7-bis(oxidanylidene)benzimidazol-2-yl]methyl ethanoate

Systemtic Name: [5-azanyl-1,6-dimethyl-4,7-bis(oxidanylidene)benzimidazol-2-yl]methyl ethanoate Openeye Name: (5-amino-1,6-dimethyl-4,7-dioxo-benzimidazol-2-yl)methyl acetate CAS Name: acetic acid (5-amino-1,6-dimethyl-4,7-dioxo-2-benzimidazolyl)methyl ester IUPAC Name: (5-amino-1,6-dimethyl-4,7-dioxobenzimidazol-2-yl)methyl acetate Traditional Name: acetic acid (5-amino-4,7-diketo-1,6-dimethyl-benzimidazol-2-yl)methyl ester Formula: C12H13N3O4 MolecularWeight: 263.24932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(C1=O)N(C(=N2)COC(=O)C)C)N

Isomeric SMILES

CC1=C(C(=O)C2=C(C1=O)N(C(=N2)COC(=O)C)C)N

InChI

InChI=1S/C12H13N3O4/c1-5-8(13)12(18)9-10(11(5)17)15(3)7(14-9)4-19-6(2)16/h4,13H2,1-3H3