1-[3-cyano-4-(4-methoxyphenyl)phenyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[3-cyano-4-(4-methoxyphenyl)phenyl]pyrazole-4-carboxylic acid Openeye Name: 1-[3-cyano-4-(4-methoxyphenyl)phenyl]pyrazole-4-carboxylic acid CAS Name: 1-[3-cyano-4-(4-methoxyphenyl)phenyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[3-cyano-4-(4-methoxyphenyl)phenyl]pyrazole-4-carboxylic acid Traditional Name: 1-[3-cyano-4-(4-methoxyphenyl)phenyl]pyrazole-4-carboxylic acid Formula: C18H13N3O3 MolecularWeight: 319.31412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C=C(C=C2)N3C=C(C=N3)C(=O)O)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C=C(C=C2)N3C=C(C=N3)C(=O)O)C#N

InChI

InChI=1S/C18H13N3O3/c1-24-16-5-2-12(3-6-16)17-7-4-15(8-13(17)9-19)21-11-14(10-20-21)18(22)23/h2-8,10-11H,1H3,(H,22,23)