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

Systemtic Name: 2-[4-[(2-cyanoaziridin-1-yl)carbonylcarbamoyl]phenyl]ethyl ethanoate Openeye Name: 2-[4-[(2-cyanoaziridine-1-carbonyl)carbamoyl]phenyl]ethyl acetate CAS Name: acetic acid 2-[4-[[[(2-cyano-1-aziridinyl)-oxomethyl]amino]-oxomethyl]phenyl]ethyl ester IUPAC Name: 2-[4-[(2-cyanoaziridine-1-carbonyl)carbamoyl]phenyl]ethyl acetate Traditional Name: acetic acid 2-[4-[(2-cyanoethylenimine-1-carbonyl)carbamoyl]phenyl]ethyl ester Formula: C15H15N3O4 MolecularWeight: 301.2973

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCC1=CC=C(C=C1)C(=O)NC(=O)N2CC2C#N

Isomeric SMILES

CC(=O)OCCC1=CC=C(C=C1)C(=O)NC(=O)N2CC2C#N

InChI

InChI=1S/C15H15N3O4/c1-10(19)22-7-6-11-2-4-12(5-3-11)14(20)17-15(21)18-9-13(18)8-16/h2-5,13H,6-7,9H2,1H3,(H,17,20,21)