ethyl 3-(4-chlorophenyl)-5-oxidanylidene-1,2-dihydropyrazole-4-carboxylate; piperidine

Systemtic Name: ethyl 3-(4-chlorophenyl)-5-oxidanylidene-1,2-dihydropyrazole-4-carboxylate; piperidine Openeye Name: ethyl 3-(4-chlorophenyl)-5-oxo-1,2-dihydropyrazole-4-carboxylate; piperidine CAS Name: 3-(4-chlorophenyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid ethyl ester; piperidine IUPAC Name: ethyl 3-(4-chlorophenyl)-5-oxo-1,2-dihydropyrazole-4-carboxylate; piperidine Traditional Name: 3-(4-chlorophenyl)-5-keto-3-pyrazoline-4-carboxylic acid ethyl ester; piperidine Formula: C17H22ClN3O3 MolecularWeight: 351.82788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NNC1=O)C2=CC=C(C=C2)Cl.C1CCNCC1

Isomeric SMILES

CCOC(=O)C1=C(NNC1=O)C2=CC=C(C=C2)Cl.C1CCNCC1

InChI

InChI=1S/C12H11ClN2O3.C5H11N/c1-2-18-12(17)9-10(14-15-11(9)16)7-3-5-8(13)6-4-7;1-2-4-6-5-3-1/h3-6H,2H2,1H3,(H2,14,15,16);6H,1-5H2