(4Z)-4-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-2-(4-nitrophenyl)-5-propyl-pyrazol-3-one

Systemtic Name: (4Z)-4-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-2-(4-nitrophenyl)-5-propyl-pyrazol-3-one Openeye Name: (4Z)-4-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-2-(4-nitrophenyl)-5-propyl-pyrazol-3-one CAS Name: (4Z)-4-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-2-(4-nitrophenyl)-5-propyl-3-pyrazolone IUPAC Name: (4Z)-4-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-2-(4-nitrophenyl)-5-propylpyrazol-3-one Traditional Name: (4Z)-2-(4-nitrophenyl)-4-[1-(piperonylamino)ethylidene]-5-propyl-2-pyrazolin-3-one Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C(C)NCC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C(/C)\NCC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O5/c1-3-4-18-21(14(2)23-12-15-5-10-19-20(11-15)31-13-30-19)22(27)25(24-18)16-6-8-17(9-7-16)26(28)29/h5-11,23H,3-4,12-13H2,1-2H3/b21-14-