ethyl 3-cyano-7-methyl-6-oxidanylidene-pyrazolo[1,5-a][1,3]diazepine-8-carboxylate

Systemtic Name: ethyl 3-cyano-7-methyl-6-oxidanylidene-pyrazolo[1,5-a][1,3]diazepine-8-carboxylate Openeye Name: ethyl 3-cyano-7-methyl-6-oxo-pyrazolo[1,5-a][1,3]diazepine-8-carboxylate CAS Name: 3-cyano-7-methyl-6-oxo-8-pyrazolo[1,5-a][1,3]diazepinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-cyano-7-methyl-6-oxopyrazolo[1,5-a][1,3]diazepine-8-carboxylate Traditional Name: 3-cyano-6-keto-7-methyl-pyrazolo[1,5-a][1,3]diazepine-8-carboxylic acid ethyl ester Formula: C12H10N4O3 MolecularWeight: 258.2328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C=NC2=C(C=NN12)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C=NC2=C(C=NN12)C#N)C

InChI

InChI=1S/C12H10N4O3/c1-3-19-12(18)10-7(2)9(17)6-14-11-8(4-13)5-15-16(10)11/h5-6H,3H2,1-2H3