ethyl 4-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: ethyl 4-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: ethyl 4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxylic acid ethyl ester Formula: C20H17ClN2O4 MolecularWeight: 384.81298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NN1)C2=CC=CC=C2)CC3=CC4=C(C=C3Cl)OCO4

Isomeric SMILES

CCOC(=O)C1=C(C(=NN1)C2=CC=CC=C2)CC3=CC4=C(C=C3Cl)OCO4

InChI

InChI=1S/C20H17ClN2O4/c1-2-25-20(24)19-14(18(22-23-19)12-6-4-3-5-7-12)8-13-9-16-17(10-15(13)21)27-11-26-16/h3-7,9-10H,2,8,11H2,1H3,(H,22,23)