[4-[2-acetamido-3-(2-cyanoaziridin-1-yl)-3-oxidanylidene-propyl]phenyl] ethanoate

Systemtic Name: [4-[2-acetamido-3-(2-cyanoaziridin-1-yl)-3-oxidanylidene-propyl]phenyl] ethanoate Openeye Name: [4-[2-acetamido-3-(2-cyanoaziridin-1-yl)-3-oxo-propyl]phenyl] acetate CAS Name: acetic acid [4-[2-acetamido-3-(2-cyano-1-aziridinyl)-3-oxopropyl]phenyl] ester IUPAC Name: [4-[2-acetamido-3-(2-cyanoaziridin-1-yl)-3-oxopropyl]phenyl] acetate Traditional Name: acetic acid [4-[2-acetamido-3-(2-cyanoethylenimin-1-yl)-3-keto-propyl]phenyl] ester Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=C(C=C1)OC(=O)C)C(=O)N2CC2C#N

Isomeric SMILES

CC(=O)NC(CC1=CC=C(C=C1)OC(=O)C)C(=O)N2CC2C#N

InChI

InChI=1S/C16H17N3O4/c1-10(20)18-15(16(22)19-9-13(19)8-17)7-12-3-5-14(6-4-12)23-11(2)21/h3-6,13,15H,7,9H2,1-2H3,(H,18,20)