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

Systemtic Name: 2-[1-[2-(hydroxymethyl)aziridin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]isoindole-1,3-dione Openeye Name: 2-[1-benzyl-2-[2-(hydroxymethyl)aziridin-1-yl]-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[1-[2-(hydroxymethyl)-1-aziridinyl]-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[1-[2-(hydroxymethyl)aziridin-1-yl]-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione Traditional Name: 2-[1-benzyl-2-keto-2-(2-methylolethylenimin-1-yl)ethyl]isoindoline-1,3-quinone Formula: C20H18N2O4 MolecularWeight: 350.36792

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N1C(=O)C(CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O)CO

Isomeric SMILES

C1C(N1C(=O)C(CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O)CO

InChI

InChI=1S/C20H18N2O4/c23-12-14-11-21(14)20(26)17(10-13-6-2-1-3-7-13)22-18(24)15-8-4-5-9-16(15)19(22)25/h1-9,14,17,23H,10-12H2