2-(3-oxidanylidene-1,2-diazepan-4-yl)isoindole-1,3-dione

Systemtic Name: 2-(3-oxidanylidene-1,2-diazepan-4-yl)isoindole-1,3-dione Openeye Name: 2-(3-oxodiazepan-4-yl)isoindoline-1,3-dione CAS Name: 2-(3-oxo-4-diazepanyl)isoindole-1,3-dione IUPAC Name: 2-(3-oxodiazepan-4-yl)isoindole-1,3-dione Traditional Name: 2-(3-ketodiazepan-4-yl)isoindoline-1,3-quinone Formula: C13H13N3O3 MolecularWeight: 259.26062

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)NNC1)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C1CC(C(=O)NNC1)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C13H13N3O3/c17-11-10(6-3-7-14-15-11)16-12(18)8-4-1-2-5-9(8)13(16)19/h1-2,4-5,10,14H,3,6-7H2,(H,15,17)