1-(4-isocyanatophenyl)-3,5-dimethyl-pyrazole

Systemtic Name: 1-(4-isocyanatophenyl)-3,5-dimethyl-pyrazole Openeye Name: 1-(4-isocyanatophenyl)-3,5-dimethyl-pyrazole CAS Name: 1-(4-isocyanatophenyl)-3,5-dimethylpyrazole IUPAC Name: 1-(4-isocyanatophenyl)-3,5-dimethylpyrazole Traditional Name: 1-(4-isocyanatophenyl)-3,5-dimethyl-pyrazole Formula: C12H11N3O MolecularWeight: 213.23524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)N=C=O)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)N=C=O)C

InChI

InChI=1S/C12H11N3O/c1-9-7-10(2)15(14-9)12-5-3-11(4-6-12)13-8-16/h3-7H,1-2H3