2-(1-ethyl-7,8-dimethoxy-3-phenyl-pyrazolo[3,4-c]isoquinolin-5-yl)-4-nitro-phenolate

Systemtic Name: 2-(1-ethyl-7,8-dimethoxy-3-phenyl-pyrazolo[3,4-c]isoquinolin-5-yl)-4-nitro-phenolate Openeye Name: 2-(1-ethyl-7,8-dimethoxy-3-phenyl-pyrazolo[3,4-c]isoquinolin-5-yl)-4-nitro-phenolate CAS Name: 2-(1-ethyl-7,8-dimethoxy-3-phenyl-5-pyrazolo[3,4-c]isoquinolinyl)-4-nitrophenolate IUPAC Name: 2-(1-ethyl-7,8-dimethoxy-3-phenylpyrazolo[3,4-c]isoquinolin-5-yl)-4-nitrophenolate Traditional Name: 2-(1-ethyl-7,8-dimethoxy-3-phenyl-pyrazol[3,4-c]isoquinolin-5-yl)-4-nitro-phenolate Formula: C26H21N4O5- MolecularWeight: 469.46874

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C2=C1C3=CC(=C(C=C3C(=N2)C4=C(C=CC(=C4)[N+](=O)[O-])[O-])OC)OC)C5=CC=CC=C5

Isomeric SMILES

CCC1=NN(C2=C1C3=CC(=C(C=C3C(=N2)C4=C(C=CC(=C4)[N+](=O)[O-])[O-])OC)OC)C5=CC=CC=C5

InChI

InChI=1S/C26H22N4O5/c1-4-20-24-17-13-22(34-2)23(35-3)14-18(17)25(19-12-16(30(32)33)10-11-21(19)31)27-26(24)29(28-20)15-8-6-5-7-9-15/h5-14,31H,4H2,1-3H3/p-1