O4-ethyl O3-methyl 1-(3-chloranyl-4-methyl-phenyl)-5-phenyl-pyrazole-3,4-dicarboxylate

Systemtic Name: O4-ethyl O3-methyl 1-(3-chloranyl-4-methyl-phenyl)-5-phenyl-pyrazole-3,4-dicarboxylate Openeye Name: O4-ethyl O3-methyl 1-(3-chloro-4-methyl-phenyl)-5-phenyl-pyrazole-3,4-dicarboxylate CAS Name: 1-(3-chloro-4-methylphenyl)-5-phenylpyrazole-3,4-dicarboxylic acid O4-ethyl ester O3-methyl ester IUPAC Name: 4-O-ethyl 3-O-methyl 1-(3-chloro-4-methylphenyl)-5-phenylpyrazole-3,4-dicarboxylate Traditional Name: 1-(3-chloro-4-methyl-phenyl)-5-phenyl-pyrazole-3,4-dicarboxylic acid O4-ethyl ester O3-methyl ester Formula: C21H19ClN2O4 MolecularWeight: 398.83956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C(=O)OC)C2=CC(=C(C=C2)C)Cl)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C(=O)OC)C2=CC(=C(C=C2)C)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H19ClN2O4/c1-4-28-20(25)17-18(21(26)27-3)23-24(15-11-10-13(2)16(22)12-15)19(17)14-8-6-5-7-9-14/h5-12H,4H2,1-3H3