6-(methylideneamino)-1-(2-oxidanylidenepropyl)-1,2-diazepane-3,7-dione

Systemtic Name: 6-(methylideneamino)-1-(2-oxidanylidenepropyl)-1,2-diazepane-3,7-dione Openeye Name: 1-acetonyl-6-(methyleneamino)diazepane-3,7-dione CAS Name: 6-(methyleneamino)-1-(2-oxopropyl)diazepane-3,7-dione IUPAC Name: 6-(methylideneamino)-1-(2-oxopropyl)diazepane-3,7-dione Traditional Name: 1-acetonyl-6-(methyleneamino)diazepane-3,7-quinone Formula: C9H13N3O3 MolecularWeight: 211.21782

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C(=O)C(CCC(=O)N1)N=C

Isomeric SMILES

CC(=O)CN1C(=O)C(CCC(=O)N1)N=C

InChI

InChI=1S/C9H13N3O3/c1-6(13)5-12-9(15)7(10-2)3-4-8(14)11-12/h7H,2-5H2,1H3,(H,11,14)