1-(2,4-dinitrophenyl)-6-(3-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-(2,4-dinitrophenyl)-6-(3-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(2,4-dinitrophenyl)-6-(3-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(2,4-dinitrophenyl)-6-(3-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(2,4-dinitrophenyl)-6-(3-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-(2,4-dinitrophenyl)-6-(3-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H12N6O6 MolecularWeight: 408.32448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC(=O)C3=CNN(C3=N2)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC(=O)C3=CNN(C3=N2)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H12N6O6/c1-30-12-4-2-3-10(7-12)16-20-17-13(18(25)21-16)9-19-22(17)14-6-5-11(23(26)27)8-15(14)24(28)29/h2-9,19H,1H3