(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(4-nitrophenyl)-5-propyl-pyrazol-3-one

Systemtic Name: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(4-nitrophenyl)-5-propyl-pyrazol-3-one Openeye Name: (4E)-4-(1,3-benzodioxol-5-ylmethylene)-2-(4-nitrophenyl)-5-propyl-pyrazol-3-one CAS Name: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(4-nitrophenyl)-5-propyl-3-pyrazolone IUPAC Name: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(4-nitrophenyl)-5-propylpyrazol-3-one Traditional Name: (4E)-2-(4-nitrophenyl)-4-piperonylidene-5-propyl-2-pyrazolin-3-one Formula: C20H17N3O5 MolecularWeight: 379.36608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C/C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O5/c1-2-3-17-16(10-13-4-9-18-19(11-13)28-12-27-18)20(24)22(21-17)14-5-7-15(8-6-14)23(25)26/h4-11H,2-3,12H2,1H3/b16-10+