methyl 4-oxidanylidene-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate

Systemtic Name: methyl 4-oxidanylidene-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate Openeye Name: methyl 4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate CAS Name: 4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate Traditional Name: 4-keto-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid methyl ester Formula: C9H11N3O3 MolecularWeight: 209.20194

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN2CCCNC(=O)C2=C1

Isomeric SMILES

COC(=O)C1=NN2CCCNC(=O)C2=C1

InChI

InChI=1S/C9H11N3O3/c1-15-9(14)6-5-7-8(13)10-3-2-4-12(7)11-6/h5H,2-4H2,1H3,(H,10,13)