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

Systemtic Name: [5-(aziridin-1-yl)-1,6-dimethyl-4,7-bis(oxidanyl)benzimidazol-2-yl]methyl ethanoate Openeye Name: [5-(aziridin-1-yl)-4,7-dihydroxy-1,6-dimethyl-benzimidazol-2-yl]methyl acetate CAS Name: acetic acid [5-(1-aziridinyl)-4,7-dihydroxy-1,6-dimethyl-2-benzimidazolyl]methyl ester IUPAC Name: [5-(aziridin-1-yl)-4,7-dihydroxy-1,6-dimethylbenzimidazol-2-yl]methyl acetate Traditional Name: acetic acid (5-ethylenimino-4,7-dihydroxy-1,6-dimethyl-benzimidazol-2-yl)methyl ester Formula: C14H17N3O4 MolecularWeight: 291.30248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C(=C1O)N(C(=N2)COC(=O)C)C)O)N3CC3

Isomeric SMILES

CC1=C(C(=C2C(=C1O)N(C(=N2)COC(=O)C)C)O)N3CC3

InChI

InChI=1S/C14H17N3O4/c1-7-11(17-4-5-17)14(20)10-12(13(7)19)16(3)9(15-10)6-21-8(2)18/h19-20H,4-6H2,1-3H3