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

Systemtic Name: (4Z)-5-methyl-2-(4-methylphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]pyrazol-3-one Openeye Name: (4Z)-5-methyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-(p-tolyl)pyrazol-3-one CAS Name: (4Z)-5-methyl-2-(4-methylphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-3-pyrazolone IUPAC Name: (4Z)-5-methyl-2-(4-methylphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]pyrazol-3-one Traditional Name: (4Z)-5-methyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-(p-tolyl)-2-pyrazolin-3-one Formula: C19H15N3O5 MolecularWeight: 365.3395

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15N3O5/c1-11-3-5-14(6-4-11)21-19(23)15(12(2)20-21)7-13-8-17-18(27-10-26-17)9-16(13)22(24)25/h3-9H,10H2,1-2H3/b15-7-