ethyl 5-azanyl-1-[2-(4-chlorophenyl)-2-oxidanyl-ethyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[2-(4-chlorophenyl)-2-oxidanyl-ethyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[2-(4-chlorophenyl)-2-hydroxy-ethyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[2-(4-chlorophenyl)-2-hydroxyethyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[2-(4-chlorophenyl)-2-hydroxy-ethyl]pyrazole-4-carboxylic acid ethyl ester Formula: C14H16ClN3O3 MolecularWeight: 309.74814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)CC(C2=CC=C(C=C2)Cl)O)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)CC(C2=CC=C(C=C2)Cl)O)N

InChI

InChI=1S/C14H16ClN3O3/c1-2-21-14(20)11-7-17-18(13(11)16)8-12(19)9-3-5-10(15)6-4-9/h3-7,12,19H,2,8,16H2,1H3