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

Systemtic Name: (4Z)-4-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one Openeye Name: (4Z)-4-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one CAS Name: (4Z)-4-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-5-methyl-2-(4-nitrophenyl)-3-pyrazolone IUPAC Name: (4Z)-4-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one Traditional Name: (4Z)-5-methyl-2-(4-nitrophenyl)-4-[1-(piperonylamino)ethylidene]-2-pyrazolin-3-one Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C(C)NCC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O5/c1-12(21-10-14-3-8-17-18(9-14)29-11-28-17)19-13(2)22-23(20(19)25)15-4-6-16(7-5-15)24(26)27/h3-9,21H,10-11H2,1-2H3/b19-12-