2-[(4E)-4-(3H-1,2-benzoxazol-2-ylmethoxyimino)-5-oxidanylidene-pyrazol-1-yl]propanenitrile

Systemtic Name: 2-[(4E)-4-(3H-1,2-benzoxazol-2-ylmethoxyimino)-5-oxidanylidene-pyrazol-1-yl]propanenitrile Openeye Name: 2-[(4E)-4-(3H-1,2-benzoxazol-2-ylmethoxyimino)-5-oxo-pyrazol-1-yl]propanenitrile CAS Name: 2-[(4E)-4-(3H-1,2-benzoxazol-2-ylmethoxyimino)-5-oxo-1-pyrazolyl]propanenitrile IUPAC Name: 2-[(4E)-4-(3H-1,2-benzoxazol-2-ylmethoxyimino)-5-oxopyrazol-1-yl]propanenitrile Traditional Name: 2-[(4E)-4-(3H-indoxazen-2-ylmethyloximino)-5-keto-2-pyrazolin-1-yl]propionitrile Formula: C14H13N5O3 MolecularWeight: 299.28472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)N1C(=O)C(=NOCN2CC3=CC=CC=C3O2)C=N1

Isomeric SMILES

CC(C#N)N1C(=O)/C(=N/OCN2CC3=CC=CC=C3O2)/C=N1

InChI

InChI=1S/C14H13N5O3/c1-10(6-15)19-14(20)12(7-16-19)17-21-9-18-8-11-4-2-3-5-13(11)22-18/h2-5,7,10H,8-9H2,1H3/b17-12+