2-[2-(1,3-benzoxazol-2-yl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]ethanenitrile

Systemtic Name: 2-[2-(1,3-benzoxazol-2-yl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]ethanenitrile Openeye Name: 2-[2-(1,3-benzoxazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]acetonitrile CAS Name: 2-[2-(1,3-benzoxazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]acetonitrile IUPAC Name: 2-[2-(1,3-benzoxazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]acetonitrile Traditional Name: 2-[1-(1,3-benzoxazol-2-yl)-5-keto-3-methyl-3-pyrazolin-4-yl]acetonitrile Formula: C13H10N4O2 MolecularWeight: 254.2441

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3O2)CC#N

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3O2)CC#N

InChI

InChI=1S/C13H10N4O2/c1-8-9(6-7-14)12(18)17(16-8)13-15-10-4-2-3-5-11(10)19-13/h2-5,16H,6H2,1H3