4-cyano-1-(2,4-dichlorophenyl)-5-(4-prop-2-enoxyphenyl)pyrazole-3-carboxylic acid

Systemtic Name: 4-cyano-1-(2,4-dichlorophenyl)-5-(4-prop-2-enoxyphenyl)pyrazole-3-carboxylic acid Openeye Name: 5-(4-allyloxyphenyl)-4-cyano-1-(2,4-dichlorophenyl)pyrazole-3-carboxylic acid CAS Name: 4-cyano-1-(2,4-dichlorophenyl)-5-(4-prop-2-enoxyphenyl)-3-pyrazolecarboxylic acid IUPAC Name: 4-cyano-1-(2,4-dichlorophenyl)-5-(4-prop-2-enoxyphenyl)pyrazole-3-carboxylic acid Traditional Name: 5-(4-allyloxyphenyl)-4-cyano-1-(2,4-dichlorophenyl)pyrazole-3-carboxylic acid Formula: C20H13Cl2N3O3 MolecularWeight: 414.24152

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=C(C=C1)C2=C(C(=NN2C3=C(C=C(C=C3)Cl)Cl)C(=O)O)C#N

Isomeric SMILES

C=CCOC1=CC=C(C=C1)C2=C(C(=NN2C3=C(C=C(C=C3)Cl)Cl)C(=O)O)C#N

InChI

InChI=1S/C20H13Cl2N3O3/c1-2-9-28-14-6-3-12(4-7-14)19-15(11-23)18(20(26)27)24-25(19)17-8-5-13(21)10-16(17)22/h2-8,10H,1,9H2,(H,26,27)