N-(1-butyl-6-methoxy-pyrazolo[3,4-b]quinolin-3-yl)-3-nitro-benzamide

Systemtic Name: N-(1-butyl-6-methoxy-pyrazolo[3,4-b]quinolin-3-yl)-3-nitro-benzamide Openeye Name: N-(1-butyl-6-methoxy-pyrazolo[3,4-b]quinolin-3-yl)-3-nitro-benzamide CAS Name: N-(1-butyl-6-methoxy-3-pyrazolo[3,4-b]quinolinyl)-3-nitrobenzamide IUPAC Name: N-(1-butyl-6-methoxypyrazolo[3,4-b]quinolin-3-yl)-3-nitrobenzamide Traditional Name: N-(1-butyl-6-methoxy-pyrazolo[3,4-b]quinolin-3-yl)-3-nitro-benzamide Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C3C=C(C=CC3=N2)OC)C(=N1)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C2=C(C=C3C=C(C=CC3=N2)OC)C(=N1)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O4/c1-3-4-10-26-21-18(13-15-12-17(31-2)8-9-19(15)23-21)20(25-26)24-22(28)14-6-5-7-16(11-14)27(29)30/h5-9,11-13H,3-4,10H2,1-2H3,(H,24,25,28)