2-[2-[(E)-[1-(4-bromophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]-6-methoxy-phenoxy]ethanenitrile

Systemtic Name: 2-[2-[(E)-[1-(4-bromophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]-6-methoxy-phenoxy]ethanenitrile Openeye Name: 2-[2-[(E)-[1-(4-bromophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]-6-methoxy-phenoxy]acetonitrile CAS Name: 2-[2-[(E)-[1-(4-bromophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methyl]-6-methoxyphenoxy]acetonitrile IUPAC Name: 2-[2-[(E)-[1-(4-bromophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-6-methoxyphenoxy]acetonitrile Traditional Name: 2-[2-[(E)-[1-(4-bromophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methyl]-6-methoxy-phenoxy]acetonitrile Formula: C20H16BrN3O3 MolecularWeight: 426.26334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=C(C(=CC=C2)OC)OCC#N)C3=CC=C(C=C3)Br

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=C(C(=CC=C2)OC)OCC#N)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H16BrN3O3/c1-13-17(20(25)24(23-13)16-8-6-15(21)7-9-16)12-14-4-3-5-18(26-2)19(14)27-11-10-22/h3-9,12H,11H2,1-2H3/b17-12+