1-(2-nitrophenyl)-5-[(4-nitrophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-(2-nitrophenyl)-5-[(4-nitrophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(2-nitrophenyl)-5-[(4-nitrophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(2-nitrophenyl)-5-[(4-nitrophenyl)methyl]-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 1-(2-nitrophenyl)-5-[(4-nitrophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(4-nitrobenzyl)-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H12N6O5 MolecularWeight: 392.32508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H12N6O5/c25-18-14-9-20-22(15-3-1-2-4-16(15)24(28)29)17(14)19-11-21(18)10-12-5-7-13(8-6-12)23(26)27/h1-9,11H,10H2