ethyl 4-[(2-cyanoaziridin-1-yl)carbonylcarbamoyl]benzoate

Systemtic Name: ethyl 4-[(2-cyanoaziridin-1-yl)carbonylcarbamoyl]benzoate Openeye Name: ethyl 4-[(2-cyanoaziridine-1-carbonyl)carbamoyl]benzoate CAS Name: 4-[[[(2-cyano-1-aziridinyl)-oxomethyl]amino]-oxomethyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-cyanoaziridine-1-carbonyl)carbamoyl]benzoate Traditional Name: 4-[(2-cyanoethylenimine-1-carbonyl)carbamoyl]benzoic acid ethyl ester Formula: C14H13N3O4 MolecularWeight: 287.27072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O4/c1-2-21-13(19)10-5-3-9(4-6-10)12(18)16-14(20)17-8-11(17)7-15/h3-6,11H,2,8H2,1H3,(H,16,18,20)