2-[3,7-bis(oxidanylidene)-1,2-diazepan-4-yl]isoindole-1,3-dione

Systemtic Name: 2-[3,7-bis(oxidanylidene)-1,2-diazepan-4-yl]isoindole-1,3-dione Openeye Name: 2-(3,7-dioxodiazepan-4-yl)isoindoline-1,3-dione CAS Name: 2-(3,7-dioxo-4-diazepanyl)isoindole-1,3-dione IUPAC Name: 2-(3,7-dioxodiazepan-4-yl)isoindole-1,3-dione Traditional Name: 2-(3,7-diketodiazepan-4-yl)isoindoline-1,3-quinone Formula: C13H11N3O4 MolecularWeight: 273.24414

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NNC(=O)C1N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C1CC(=O)NNC(=O)C1N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C13H11N3O4/c17-10-6-5-9(11(18)15-14-10)16-12(19)7-3-1-2-4-8(7)13(16)20/h1-4,9H,5-6H2,(H,14,17)(H,15,18)