ethyl 4-[[1-(1,3-benzodioxol-5-ylmethyl)aziridin-2-yl]carbonylamino]-1-methyl-imidazole-2-carboxylate

Systemtic Name: ethyl 4-[[1-(1,3-benzodioxol-5-ylmethyl)aziridin-2-yl]carbonylamino]-1-methyl-imidazole-2-carboxylate Openeye Name: ethyl 4-[[1-(1,3-benzodioxol-5-ylmethyl)aziridine-2-carbonyl]amino]-1-methyl-imidazole-2-carboxylate CAS Name: 4-[[[1-(1,3-benzodioxol-5-ylmethyl)-2-aziridinyl]-oxomethyl]amino]-1-methyl-2-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[1-(1,3-benzodioxol-5-ylmethyl)aziridine-2-carbonyl]amino]-1-methylimidazole-2-carboxylate Traditional Name: 1-methyl-4-[(1-piperonylethylenimine-2-carbonyl)amino]imidazole-2-carboxylic acid ethyl ester Formula: C18H20N4O5 MolecularWeight: 372.3752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=CN1C)NC(=O)C2CN2CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=NC(=CN1C)NC(=O)C2CN2CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H20N4O5/c1-3-25-18(24)16-19-15(9-21(16)2)20-17(23)12-8-22(12)7-11-4-5-13-14(6-11)27-10-26-13/h4-6,9,12H,3,7-8,10H2,1-2H3,(H,20,23)