6-ethyl-5-(4-nitrophenyl)-1-phenyl-3aH-pyrazolo[3,4-d]pyrimidin-5-ium-4-one

Systemtic Name: 6-ethyl-5-(4-nitrophenyl)-1-phenyl-3aH-pyrazolo[3,4-d]pyrimidin-5-ium-4-one Openeye Name: 6-ethyl-5-(4-nitrophenyl)-1-phenyl-3aH-pyrazolo[3,4-d]pyrimidin-5-ium-4-one CAS Name: 6-ethyl-5-(4-nitrophenyl)-1-phenyl-3aH-pyrazolo[3,4-d]pyrimidin-5-ium-4-one IUPAC Name: 6-ethyl-5-(4-nitrophenyl)-1-phenyl-3aH-pyrazolo[3,4-d]pyrimidin-5-ium-4-one Traditional Name: 6-ethyl-5-(4-nitrophenyl)-1-phenyl-3aH-pyrazolo[3,4-d]pyrimidin-5-ium-4-one Formula: C19H16N5O3+ MolecularWeight: 362.36204

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=[N+](C(=O)C2C=NN(C2=N1)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=[N+](C(=O)C2C=NN(C2=N1)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H16N5O3/c1-2-17-21-18-16(12-20-23(18)14-6-4-3-5-7-14)19(25)22(17)13-8-10-15(11-9-13)24(26)27/h3-12,16H,2H2,1H3/q+1