ethyl 4-oxidanylidene-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxylate

Systemtic Name: ethyl 4-oxidanylidene-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxylate Openeye Name: ethyl 4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxylate CAS Name: 4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxylate Traditional Name: 4-keto-5,6,7,8-tetrahydropyrazol[1,5-a]azepine-2-carboxylic acid ethyl ester Formula: C11H14N2O3 MolecularWeight: 222.24046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN2CCCCC(=O)C2=C1

Isomeric SMILES

CCOC(=O)C1=NN2CCCCC(=O)C2=C1

InChI

InChI=1S/C11H14N2O3/c1-2-16-11(15)8-7-9-10(14)5-3-4-6-13(9)12-8/h7H,2-6H2,1H3