2-[1-[2-(hydroxymethyl)aziridin-1-yl]-1-oxidanylidene-propan-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[1-[2-(hydroxymethyl)aziridin-1-yl]-1-oxidanylidene-propan-2-yl]isoindole-1,3-dione Openeye Name: 2-[2-[2-(hydroxymethyl)aziridin-1-yl]-1-methyl-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[1-[2-(hydroxymethyl)-1-aziridinyl]-1-oxopropan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[1-[2-(hydroxymethyl)aziridin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione Traditional Name: 2-[2-keto-1-methyl-2-(2-methylolethylenimin-1-yl)ethyl]isoindoline-1,3-quinone Formula: C14H14N2O4 MolecularWeight: 274.27196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC1CO)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C(=O)N1CC1CO)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C14H14N2O4/c1-8(12(18)15-6-9(15)7-17)16-13(19)10-4-2-3-5-11(10)14(16)20/h2-5,8-9,17H,6-7H2,1H3