7-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-5-phenyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide

Systemtic Name: 7-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-5-phenyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide Openeye Name: 7-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-5-phenyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide CAS Name: 7-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-5-phenyl-3-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: 7-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide Traditional Name: 7-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-5-phenyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide Formula: C22H16N6O5 MolecularWeight: 444.39964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C(C=NN12)C(=O)NN=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=NC2=C(C=NN12)C(=O)N/N=C/C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C5=CC=CC=C5

InChI

InChI=1S/C22H16N6O5/c1-13-7-17(14-5-3-2-4-6-14)25-21-16(11-24-27(13)21)22(29)26-23-10-15-8-19-20(33-12-32-19)9-18(15)28(30)31/h2-11H,12H2,1H3,(H,26,29)/b23-10+