(NE)-N-[(3-but-3-ynyl-1-methyl-5-phenylmethoxy-pyrazol-4-yl)methylidene]hydroxylamine

Systemtic Name: (NE)-N-[(3-but-3-ynyl-1-methyl-5-phenylmethoxy-pyrazol-4-yl)methylidene]hydroxylamine Openeye Name: (4E)-5-benzyloxy-3-but-3-ynyl-1-methyl-pyrazole-4-carbaldehyde oxime CAS Name: (4E)-3-but-3-ynyl-1-methyl-5-phenylmethoxy-4-pyrazolecarboxaldehyde oxime IUPAC Name: (NE)-N-[(3-but-3-ynyl-1-methyl-5-phenylmethoxypyrazol-4-yl)methylidene]hydroxylamine Traditional Name: (4E)-5-benzoxy-3-but-3-ynyl-1-methyl-pyrazole-4-carbaldehyde oxime Formula: C16H17N3O2 MolecularWeight: 283.32508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)CCC#C)C=NO)OCC2=CC=CC=C2

Isomeric SMILES

CN1C(=C(C(=N1)CCC#C)/C=N/O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H17N3O2/c1-3-4-10-15-14(11-17-20)16(19(2)18-15)21-12-13-8-6-5-7-9-13/h1,5-9,11,20H,4,10,12H2,2H3/b17-11+