propyl 4-chloranyl-2-(2-cyanopropyl)-3-oxidanylidene-1H-pyrazole-5-carboxylate

Systemtic Name: propyl 4-chloranyl-2-(2-cyanopropyl)-3-oxidanylidene-1H-pyrazole-5-carboxylate Openeye Name: propyl 4-chloro-2-(2-cyanopropyl)-3-oxo-1H-pyrazole-5-carboxylate CAS Name: 4-chloro-2-(2-cyanopropyl)-3-oxo-1H-pyrazole-5-carboxylic acid propyl ester IUPAC Name: propyl 4-chloro-2-(2-cyanopropyl)-3-oxo-1H-pyrazole-5-carboxylate Traditional Name: 4-chloro-1-(2-cyanopropyl)-5-keto-3-pyrazoline-3-carboxylic acid propyl ester Formula: C11H14ClN3O3 MolecularWeight: 271.70016

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(C(=O)N(N1)CC(C)C#N)Cl

Isomeric SMILES

CCCOC(=O)C1=C(C(=O)N(N1)CC(C)C#N)Cl

InChI

InChI=1S/C11H14ClN3O3/c1-3-4-18-11(17)9-8(12)10(16)15(14-9)6-7(2)5-13/h7,14H,3-4,6H2,1-2H3