1-(4-cyanonaphthalen-1-yl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid

Systemtic Name: 1-(4-cyanonaphthalen-1-yl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid Openeye Name: 1-(4-cyano-1-naphthyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid CAS Name: 1-(4-cyano-1-naphthalenyl)-5-(2,6-dimethoxyphenyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-(4-cyanonaphthalen-1-yl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid Traditional Name: 1-(4-cyano-1-naphthyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid Formula: C23H17N3O4 MolecularWeight: 399.39878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C2=CC(=NN2C3=CC=C(C4=CC=CC=C43)C#N)C(=O)O

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C2=CC(=NN2C3=CC=C(C4=CC=CC=C43)C#N)C(=O)O

InChI

InChI=1S/C23H17N3O4/c1-29-20-8-5-9-21(30-2)22(20)19-12-17(23(27)28)25-26(19)18-11-10-14(13-24)15-6-3-4-7-16(15)18/h3-12H,1-2H3,(H,27,28)