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

Systemtic Name: (4Z)-4-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-2-(4-nitrophenyl)-5-phenyl-pyrazol-3-one Openeye Name: (4Z)-4-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-2-(4-nitrophenyl)-5-phenyl-pyrazol-3-one CAS Name: (4Z)-4-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-2-(4-nitrophenyl)-5-phenyl-3-pyrazolone IUPAC Name: (4Z)-4-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-2-(4-nitrophenyl)-5-phenylpyrazol-3-one Traditional Name: (4Z)-2-(4-nitrophenyl)-5-phenyl-4-[1-(piperonylamino)ethylidene]-2-pyrazolin-3-one Formula: C25H20N4O5 MolecularWeight: 456.4501

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=NN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C/C(=C/1\C(=NN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)/NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H20N4O5/c1-16(26-14-17-7-12-21-22(13-17)34-15-33-21)23-24(18-5-3-2-4-6-18)27-28(25(23)30)19-8-10-20(11-9-19)29(31)32/h2-13,26H,14-15H2,1H3/b23-16-