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

Systemtic Name: 2-[2-[(Z)-[1-(4-bromophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]phenoxy]ethanenitrile Openeye Name: 2-[2-[(Z)-[1-(4-bromophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]phenoxy]acetonitrile CAS Name: 2-[2-[(Z)-[1-(4-bromophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methyl]phenoxy]acetonitrile IUPAC Name: 2-[2-[(Z)-[1-(4-bromophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]phenoxy]acetonitrile Traditional Name: 2-[2-[(Z)-[1-(4-bromophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methyl]phenoxy]acetonitrile Formula: C19H14BrN3O2 MolecularWeight: 396.23736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=CC=C2OCC#N)C3=CC=C(C=C3)Br

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC=CC=C2OCC#N)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H14BrN3O2/c1-13-17(12-14-4-2-3-5-18(14)25-11-10-21)19(24)23(22-13)16-8-6-15(20)7-9-16/h2-9,12H,11H2,1H3/b17-12-