(1,2-diazepin-1-ylcarbonylamino) 5-oxidanylidenehexanoate

Systemtic Name: (1,2-diazepin-1-ylcarbonylamino) 5-oxidanylidenehexanoate Openeye Name: (diazepine-1-carbonylamino) 5-oxohexanoate CAS Name: 5-oxohexanoic acid [[1-diazepinyl(oxo)methyl]amino] ester IUPAC Name: (diazepine-1-carbonylamino) 5-oxohexanoate Traditional Name: 5-ketohexanoic acid (diazepine-1-carbonylamino) ester Formula: C12H15N3O4 MolecularWeight: 265.2652

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCC(=O)ONC(=O)N1C=CC=CC=N1

Isomeric SMILES

CC(=O)CCCC(=O)ONC(=O)N1C=CC=CC=N1

InChI

InChI=1S/C12H15N3O4/c1-10(16)6-5-7-11(17)19-14-12(18)15-9-4-2-3-8-13-15/h2-4,8-9H,5-7H2,1H3,(H,14,18)