N-[6-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]-3-nitro-benzamide

Systemtic Name: N-[6-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]-3-nitro-benzamide Openeye Name: N-(1-isobutyl-6-methyl-pyrazolo[3,4-b]quinolin-3-yl)-3-nitro-benzamide CAS Name: N-[6-methyl-1-(2-methylpropyl)-3-pyrazolo[3,4-b]quinolinyl]-3-nitrobenzamide IUPAC Name: N-[6-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]-3-nitrobenzamide Traditional Name: N-(1-isobutyl-6-methyl-pyrazolo[3,4-b]quinolin-3-yl)-3-nitro-benzamide Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC3=C(N=C2C=C1)N(N=C3NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])CC(C)C

Isomeric SMILES

CC1=CC2=CC3=C(N=C2C=C1)N(N=C3NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])CC(C)C

InChI

InChI=1S/C22H21N5O3/c1-13(2)12-26-21-18(11-16-9-14(3)7-8-19(16)23-21)20(25-26)24-22(28)15-5-4-6-17(10-15)27(29)30/h4-11,13H,12H2,1-3H3,(H,24,25,28)