1-[4-(3-chloranyl-5-isocyano-phenoxy)-3,5-dimethyl-pyrazol-1-yl]ethanone

Systemtic Name: 1-[4-(3-chloranyl-5-isocyano-phenoxy)-3,5-dimethyl-pyrazol-1-yl]ethanone Openeye Name: 1-[4-(3-chloro-5-isocyano-phenoxy)-3,5-dimethyl-pyrazol-1-yl]ethanone CAS Name: 1-[4-(3-chloro-5-isocyanophenoxy)-3,5-dimethyl-1-pyrazolyl]ethanone IUPAC Name: 1-[4-(3-chloro-5-isocyanophenoxy)-3,5-dimethylpyrazol-1-yl]ethanone Traditional Name: 1-[4-(3-chloro-5-isocyano-phenoxy)-3,5-dimethyl-pyrazol-1-yl]ethanone Formula: C14H12ClN3O2 MolecularWeight: 289.71698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12ClN3O2/c1-8-14(9(2)18(17-8)10(3)19)20-13-6-11(15)5-12(7-13)16-4/h5-7H,1-3H3