(4Z)-2-(3,4-dimethylphenyl)-5-methyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]pyrazol-3-one

Systemtic Name: (4Z)-2-(3,4-dimethylphenyl)-5-methyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]pyrazol-3-one Openeye Name: (4Z)-2-(3,4-dimethylphenyl)-5-methyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylene]pyrazol-3-one CAS Name: (4Z)-2-(3,4-dimethylphenyl)-5-methyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-3-pyrazolone IUPAC Name: (4Z)-2-(3,4-dimethylphenyl)-5-methyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]pyrazol-3-one Traditional Name: (4Z)-2-(3,4-dimethylphenyl)-5-methyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-pyrazolin-3-one Formula: C20H17N3O5 MolecularWeight: 379.36608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4)C(=N2)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)/C(=C\C3=CC4=C(C=C3[N+](=O)[O-])OCO4)/C(=N2)C)C

InChI

InChI=1S/C20H17N3O5/c1-11-4-5-15(6-12(11)2)22-20(24)16(13(3)21-22)7-14-8-18-19(28-10-27-18)9-17(14)23(25)26/h4-9H,10H2,1-3H3/b16-7-