methyl 4-[(2-aminocarbonylaziridin-1-yl)-(2-cyanoaziridin-1-yl)methyl]benzoate

Systemtic Name: methyl 4-[(2-aminocarbonylaziridin-1-yl)-(2-cyanoaziridin-1-yl)methyl]benzoate Openeye Name: methyl 4-[(2-carbamoylaziridin-1-yl)-(2-cyanoaziridin-1-yl)methyl]benzoate CAS Name: 4-[(2-carbamoyl-1-aziridinyl)-(2-cyano-1-aziridinyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-carbamoylaziridin-1-yl)-(2-cyanoaziridin-1-yl)methyl]benzoate Traditional Name: 4-[(2-carbamoylethylenimin-1-yl)-(2-cyanoethylenimin-1-yl)methyl]benzoic acid methyl ester Formula: C15H16N4O3 MolecularWeight: 300.31254

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(N2CC2C#N)N3CC3C(=O)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(N2CC2C#N)N3CC3C(=O)N

InChI

InChI=1S/C15H16N4O3/c1-22-15(21)10-4-2-9(3-5-10)14(18-7-11(18)6-16)19-8-12(19)13(17)20/h2-5,11-12,14H,7-8H2,1H3,(H2,17,20)