2-[2-[bis(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]phenoxy]ethanenitrile

Systemtic Name: 2-[2-[bis(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]phenoxy]ethanenitrile Openeye Name: 2-[2-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]phenoxy]acetonitrile CAS Name: 2-[2-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]phenoxy]acetonitrile IUPAC Name: 2-[2-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]phenoxy]acetonitrile Traditional Name: 2-[2-[bis(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]phenoxy]acetonitrile Formula: C17H17N5O3 MolecularWeight: 339.34858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2=CC=CC=C2OCC#N)C3=C(NNC3=O)C

Isomeric SMILES

CC1=C(C(=O)NN1)C(C2=CC=CC=C2OCC#N)C3=C(NNC3=O)C

InChI

InChI=1S/C17H17N5O3/c1-9-13(16(23)21-19-9)15(14-10(2)20-22-17(14)24)11-5-3-4-6-12(11)25-8-7-18/h3-6,15H,8H2,1-2H3,(H2,19,21,23)(H2,20,22,24)