4-isocyanato-3,5-dimethyl-1-phenyl-pyrazole

Systemtic Name: 4-isocyanato-3,5-dimethyl-1-phenyl-pyrazole Openeye Name: 4-isocyanato-3,5-dimethyl-1-phenyl-pyrazole CAS Name: 4-isocyanato-3,5-dimethyl-1-phenylpyrazole IUPAC Name: 4-isocyanato-3,5-dimethyl-1-phenylpyrazole Traditional Name: 4-isocyanato-3,5-dimethyl-1-phenyl-pyrazole Formula: C12H11N3O MolecularWeight: 213.23524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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