1-(2-cyanoethyl)-3-naphthalen-2-yl-pyrazole-4-carboxylate

Systemtic Name: 1-(2-cyanoethyl)-3-naphthalen-2-yl-pyrazole-4-carboxylate Openeye Name: 1-(2-cyanoethyl)-3-(2-naphthyl)pyrazole-4-carboxylate CAS Name: 1-(2-cyanoethyl)-3-(2-naphthalenyl)-4-pyrazolecarboxylate IUPAC Name: 1-(2-cyanoethyl)-3-naphthalen-2-ylpyrazole-4-carboxylate Traditional Name: 1-(2-cyanoethyl)-3-(2-naphthyl)pyrazole-4-carboxylate Formula: C17H12N3O2- MolecularWeight: 290.29608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C3=NN(C=C3C(=O)[O-])CCC#N

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C3=NN(C=C3C(=O)[O-])CCC#N

InChI

InChI=1S/C17H13N3O2/c18-8-3-9-20-11-15(17(21)22)16(19-20)14-7-6-12-4-1-2-5-13(12)10-14/h1-2,4-7,10-11H,3,9H2,(H,21,22)/p-1