2-(3-cyanonaphthalen-2-yl)-5-methyl-pyrazole-3-carboxylic acid

Systemtic Name: 2-(3-cyanonaphthalen-2-yl)-5-methyl-pyrazole-3-carboxylic acid Openeye Name: 2-(3-cyano-2-naphthyl)-5-methyl-pyrazole-3-carboxylic acid CAS Name: 2-(3-cyano-2-naphthalenyl)-5-methyl-3-pyrazolecarboxylic acid IUPAC Name: 2-(3-cyanonaphthalen-2-yl)-5-methylpyrazole-3-carboxylic acid Traditional Name: 2-(3-cyano-2-naphthyl)-5-methyl-pyrazole-3-carboxylic acid Formula: C16H11N3O2 MolecularWeight: 277.27744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)O)C2=CC3=CC=CC=C3C=C2C#N

Isomeric SMILES

CC1=NN(C(=C1)C(=O)O)C2=CC3=CC=CC=C3C=C2C#N

InChI

InChI=1S/C16H11N3O2/c1-10-6-15(16(20)21)19(18-10)14-8-12-5-3-2-4-11(12)7-13(14)9-17/h2-8H,1H3,(H,20,21)