(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-5-tert-butyl-2-phenyl-pyrazol-3-one

Systemtic Name: (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-5-tert-butyl-2-phenyl-pyrazol-3-one Openeye Name: (4Z)-4-(1,3-benzodioxol-5-ylmethylene)-5-tert-butyl-2-phenyl-pyrazol-3-one CAS Name: (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-5-tert-butyl-2-phenyl-3-pyrazolone IUPAC Name: (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-5-tert-butyl-2-phenylpyrazol-3-one Traditional Name: (4Z)-5-tert-butyl-2-phenyl-4-piperonylidene-2-pyrazolin-3-one Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=O)C1=CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C\1=NN(C(=O)/C1=C\C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C21H20N2O3/c1-21(2,3)19-16(11-14-9-10-17-18(12-14)26-13-25-17)20(24)23(22-19)15-7-5-4-6-8-15/h4-12H,13H2,1-3H3/b16-11-