(4Z)-5-tert-butyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-phenyl-pyrazol-3-one

Systemtic Name: (4Z)-5-tert-butyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-phenyl-pyrazol-3-one Openeye Name: (4Z)-5-tert-butyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-phenyl-pyrazol-3-one CAS Name: (4Z)-5-tert-butyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-phenyl-3-pyrazolone IUPAC Name: (4Z)-5-tert-butyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-phenylpyrazol-3-one Traditional Name: (4Z)-5-tert-butyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-phenyl-2-pyrazolin-3-one Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O5/c1-21(2,3)19-15(20(25)23(22-19)14-7-5-4-6-8-14)9-13-10-17-18(29-12-28-17)11-16(13)24(26)27/h4-11H,12H2,1-3H3/b15-9-