N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-5-tert-butyl-1H-pyrazole-3-carboxamide

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-5-tert-butyl-1H-pyrazole-3-carboxamide Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-5-tert-butyl-1H-pyrazole-3-carboxamide CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-5-tert-butyl-1H-pyrazole-3-carboxamide IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-5-tert-butyl-1H-pyrazole-3-carboxamide Traditional Name: 5-tert-butyl-N-[(E)-piperonylideneamino]-1H-pyrazole-3-carboxamide Formula: C16H18N4O3 MolecularWeight: 314.33912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NN1)C(=O)NN=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(C)C1=CC(=NN1)C(=O)N/N=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H18N4O3/c1-16(2,3)14-7-11(18-19-14)15(21)20-17-8-10-4-5-12-13(6-10)23-9-22-12/h4-8H,9H2,1-3H3,(H,18,19)(H,20,21)/b17-8+