[5-acetamido-2-(2-cyanoaziridin-1-yl)carbonyl-phenyl] ethanoate

Systemtic Name: [5-acetamido-2-(2-cyanoaziridin-1-yl)carbonyl-phenyl] ethanoate Openeye Name: [5-acetamido-2-(2-cyanoaziridine-1-carbonyl)phenyl] acetate CAS Name: acetic acid [5-acetamido-2-[(2-cyano-1-aziridinyl)-oxomethyl]phenyl] ester IUPAC Name: [5-acetamido-2-(2-cyanoaziridine-1-carbonyl)phenyl] acetate Traditional Name: acetic acid [5-acetamido-2-(2-cyanoethylenimine-1-carbonyl)phenyl] ester Formula: C14H13N3O4 MolecularWeight: 287.27072

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C(=O)N2CC2C#N)OC(=O)C

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C(=O)N2CC2C#N)OC(=O)C

InChI

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