(1,2-diazepin-1-ylcarbonylamino) 4-oxidanylidenepentanoate

Systemtic Name: (1,2-diazepin-1-ylcarbonylamino) 4-oxidanylidenepentanoate Openeye Name: (diazepine-1-carbonylamino) 4-oxopentanoate CAS Name: 4-oxopentanoic acid [[1-diazepinyl(oxo)methyl]amino] ester IUPAC Name: (diazepine-1-carbonylamino) 4-oxopentanoate Traditional Name: 4-ketovaleric acid (diazepine-1-carbonylamino) ester Formula: C11H13N3O4 MolecularWeight: 251.23862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3O4/c1-9(15)5-6-10(16)18-13-11(17)14-8-4-2-3-7-12-14/h2-4,7-8H,5-6H2,1H3,(H,13,17)