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

Systemtic Name: (1,2-diazepin-1-ylcarbonylamino) 4-oxidanylidenebutanoate Openeye Name: (diazepine-1-carbonylamino) 4-oxobutanoate CAS Name: 4-oxobutanoic acid [[1-diazepinyl(oxo)methyl]amino] ester IUPAC Name: (diazepine-1-carbonylamino) 4-oxobutanoate Traditional Name: 4-ketobutyric acid (diazepine-1-carbonylamino) ester Formula: C10H11N3O4 MolecularWeight: 237.21204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NN(C=C1)C(=O)NOC(=O)CCC=O

Isomeric SMILES

C1=CC=NN(C=C1)C(=O)NOC(=O)CCC=O

InChI

InChI=1S/C10H11N3O4/c14-8-4-5-9(15)17-12-10(16)13-7-3-1-2-6-11-13/h1-3,6-8H,4-5H2,(H,12,16)