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

Systemtic Name: 2-[4-[bis(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-2-methoxy-phenoxy]ethanenitrile Openeye Name: 2-[4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-methoxy-phenoxy]acetonitrile CAS Name: 2-[4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-methoxyphenoxy]acetonitrile IUPAC Name: 2-[4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-methoxyphenoxy]acetonitrile Traditional Name: 2-[4-[bis(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-2-methoxy-phenoxy]acetonitrile Formula: C18H19N5O4 MolecularWeight: 369.37456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O4/c1-9-14(17(24)22-20-9)16(15-10(2)21-23-18(15)25)11-4-5-12(27-7-6-19)13(8-11)26-3/h4-5,8,16H,7H2,1-3H3,(H2,20,22,24)(H2,21,23,25)