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

Systemtic Name: 1-(2-bromophenyl)-4-cyano-5-(4-prop-2-enoxyphenyl)pyrazole-3-carboxylic acid Openeye Name: 5-(4-allyloxyphenyl)-1-(2-bromophenyl)-4-cyano-pyrazole-3-carboxylic acid CAS Name: 1-(2-bromophenyl)-4-cyano-5-(4-prop-2-enoxyphenyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-(2-bromophenyl)-4-cyano-5-(4-prop-2-enoxyphenyl)pyrazole-3-carboxylic acid Traditional Name: 5-(4-allyloxyphenyl)-1-(2-bromophenyl)-4-cyano-pyrazole-3-carboxylic acid Formula: C20H14BrN3O3 MolecularWeight: 424.24746

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=C(C=C1)C2=C(C(=NN2C3=CC=CC=C3Br)C(=O)O)C#N

Isomeric SMILES

C=CCOC1=CC=C(C=C1)C2=C(C(=NN2C3=CC=CC=C3Br)C(=O)O)C#N

InChI

InChI=1S/C20H14BrN3O3/c1-2-11-27-14-9-7-13(8-10-14)19-15(12-22)18(20(25)26)23-24(19)17-6-4-3-5-16(17)21/h2-10H,1,11H2,(H,25,26)