ethyl 4-(2-cyanoaziridin-1-yl)carbonylbenzoate

Systemtic Name: ethyl 4-(2-cyanoaziridin-1-yl)carbonylbenzoate Openeye Name: ethyl 4-(2-cyanoaziridine-1-carbonyl)benzoate CAS Name: 4-[(2-cyano-1-aziridinyl)-oxomethyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-(2-cyanoaziridine-1-carbonyl)benzoate Traditional Name: 4-(2-cyanoethylenimine-1-carbonyl)benzoic acid ethyl ester Formula: C13H12N2O3 MolecularWeight: 244.24598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C(=O)N2CC2C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C(=O)N2CC2C#N

InChI

InChI=1S/C13H12N2O3/c1-2-18-13(17)10-5-3-9(4-6-10)12(16)15-8-11(15)7-14/h3-6,11H,2,8H2,1H3