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

Systemtic Name: 2-[2-bromanyl-4-[(E)-[1-(3-bromophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]-6-methoxy-phenoxy]ethanenitrile Openeye Name: 2-[2-bromo-4-[(E)-[1-(3-bromophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]-6-methoxy-phenoxy]acetonitrile CAS Name: 2-[2-bromo-4-[(E)-[1-(3-bromophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methyl]-6-methoxyphenoxy]acetonitrile IUPAC Name: 2-[2-bromo-4-[(E)-[1-(3-bromophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-6-methoxyphenoxy]acetonitrile Traditional Name: 2-[2-bromo-4-[(E)-[1-(3-bromophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methyl]-6-methoxy-phenoxy]acetonitrile Formula: C20H15Br2N3O3 MolecularWeight: 505.1594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15Br2N3O3/c1-12-16(20(26)25(24-12)15-5-3-4-14(21)11-15)8-13-9-17(22)19(28-7-6-23)18(10-13)27-2/h3-5,8-11H,7H2,1-2H3/b16-8+