ethyl 3-[(2-cyanoaziridin-1-yl)methyl]-2-methyl-benzoate

Systemtic Name: ethyl 3-[(2-cyanoaziridin-1-yl)methyl]-2-methyl-benzoate Openeye Name: ethyl 3-[(2-cyanoaziridin-1-yl)methyl]-2-methyl-benzoate CAS Name: 3-[(2-cyano-1-aziridinyl)methyl]-2-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[(2-cyanoaziridin-1-yl)methyl]-2-methylbenzoate Traditional Name: 3-[(2-cyanoethylenimin-1-yl)methyl]-2-methyl-benzoic acid ethyl ester Formula: C14H16N2O2 MolecularWeight: 244.28904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CC=C1)CN2CC2C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=CC=C1)CN2CC2C#N)C

InChI

InChI=1S/C14H16N2O2/c1-3-18-14(17)13-6-4-5-11(10(13)2)8-16-9-12(16)7-15/h4-6,12H,3,8-9H2,1-2H3