3-[5-chloranyl-4-(hydroxymethyl)-3-methyl-pyrazol-1-yl]benzenecarbonitrile

Systemtic Name: 3-[5-chloranyl-4-(hydroxymethyl)-3-methyl-pyrazol-1-yl]benzenecarbonitrile Openeye Name: 3-[5-chloro-4-(hydroxymethyl)-3-methyl-pyrazol-1-yl]benzonitrile CAS Name: 3-[5-chloro-4-(hydroxymethyl)-3-methyl-1-pyrazolyl]benzonitrile IUPAC Name: 3-[5-chloro-4-(hydroxymethyl)-3-methylpyrazol-1-yl]benzonitrile Traditional Name: 3-(5-chloro-3-methyl-4-methylol-pyrazol-1-yl)benzonitrile Formula: C12H10ClN3O MolecularWeight: 247.6803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CO)Cl)C2=CC=CC(=C2)C#N

Isomeric SMILES

CC1=NN(C(=C1CO)Cl)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C12H10ClN3O/c1-8-11(7-17)12(13)16(15-8)10-4-2-3-9(5-10)6-14/h2-5,17H,7H2,1H3