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

Systemtic Name: [4-[(2-cyanoaziridin-1-yl)carbonylcarbamoyl]phenyl] ethanoate Openeye Name: [4-[(2-cyanoaziridine-1-carbonyl)carbamoyl]phenyl] acetate CAS Name: acetic acid [4-[[[(2-cyano-1-aziridinyl)-oxomethyl]amino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(2-cyanoaziridine-1-carbonyl)carbamoyl]phenyl] acetate Traditional Name: acetic acid [4-[(2-cyanoethylenimine-1-carbonyl)carbamoyl]phenyl] ester Formula: C13H11N3O4 MolecularWeight: 273.24414

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C(=O)NC(=O)N2CC2C#N

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C(=O)NC(=O)N2CC2C#N

InChI

InChI=1S/C13H11N3O4/c1-8(17)20-11-4-2-9(3-5-11)12(18)15-13(19)16-7-10(16)6-14/h2-5,10H,7H2,1H3,(H,15,18,19)