2-[4-methanoyl-3-(4-methoxyphenyl)pyrazol-1-yl]ethanenitrile

Systemtic Name: 2-[4-methanoyl-3-(4-methoxyphenyl)pyrazol-1-yl]ethanenitrile Openeye Name: 2-[4-formyl-3-(4-methoxyphenyl)pyrazol-1-yl]acetonitrile CAS Name: 2-[4-formyl-3-(4-methoxyphenyl)-1-pyrazolyl]acetonitrile IUPAC Name: 2-[4-formyl-3-(4-methoxyphenyl)pyrazol-1-yl]acetonitrile Traditional Name: 2-[4-formyl-3-(4-methoxyphenyl)pyrazol-1-yl]acetonitrile Formula: C13H11N3O2 MolecularWeight: 241.24534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C=O)CC#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C=O)CC#N

InChI

InChI=1S/C13H11N3O2/c1-18-12-4-2-10(3-5-12)13-11(9-17)8-16(15-13)7-6-14/h2-5,8-9H,7H2,1H3