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

Systemtic Name: [5-(aziridin-1-yl)-1,6-dimethyl-4,7-bis(oxidanylidene)benzimidazol-2-yl] ethanoate Openeye Name: [5-(aziridin-1-yl)-1,6-dimethyl-4,7-dioxo-benzimidazol-2-yl] acetate CAS Name: acetic acid [5-(1-aziridinyl)-1,6-dimethyl-4,7-dioxo-2-benzimidazolyl] ester IUPAC Name: [5-(aziridin-1-yl)-1,6-dimethyl-4,7-dioxobenzimidazol-2-yl] acetate Traditional Name: acetic acid (5-ethylenimino-4,7-diketo-1,6-dimethyl-benzimidazol-2-yl) ester Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(C1=O)N(C(=N2)OC(=O)C)C)N3CC3

Isomeric SMILES

CC1=C(C(=O)C2=C(C1=O)N(C(=N2)OC(=O)C)C)N3CC3

InChI

InChI=1S/C13H13N3O4/c1-6-9(16-4-5-16)12(19)8-10(11(6)18)15(3)13(14-8)20-7(2)17/h4-5H2,1-3H3