1-[3-(bromomethyl)-4-(3-chloranyl-5-isocyano-phenoxy)-5-methyl-pyrazol-1-yl]ethanone

Systemtic Name: 1-[3-(bromomethyl)-4-(3-chloranyl-5-isocyano-phenoxy)-5-methyl-pyrazol-1-yl]ethanone Openeye Name: 1-[3-(bromomethyl)-4-(3-chloro-5-isocyano-phenoxy)-5-methyl-pyrazol-1-yl]ethanone CAS Name: 1-[3-(bromomethyl)-4-(3-chloro-5-isocyanophenoxy)-5-methyl-1-pyrazolyl]ethanone IUPAC Name: 1-[3-(bromomethyl)-4-(3-chloro-5-isocyanophenoxy)-5-methylpyrazol-1-yl]ethanone Traditional Name: 1-[3-(bromomethyl)-4-(3-chloro-5-isocyano-phenoxy)-5-methyl-pyrazol-1-yl]ethanone Formula: C14H11BrClN3O2 MolecularWeight: 368.61304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C)CBr)OC2=CC(=CC(=C2)[N+]#[C-])Cl

Isomeric SMILES

CC1=C(C(=NN1C(=O)C)CBr)OC2=CC(=CC(=C2)[N+]#[C-])Cl

InChI

InChI=1S/C14H11BrClN3O2/c1-8-14(13(7-15)18-19(8)9(2)20)21-12-5-10(16)4-11(6-12)17-3/h4-6H,7H2,1-2H3