N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-3-nitro-benzamide

Systemtic Name: N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-3-nitro-benzamide Openeye Name: N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-3-nitro-benzamide CAS Name: N-(1-butyl-3-pyrazolo[3,4-b]quinolinyl)-3-nitrobenzamide IUPAC Name: N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-3-nitrobenzamide Traditional Name: N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-3-nitro-benzamide Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=NC3=CC=CC=C3C=C2C(=N1)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C2=NC3=CC=CC=C3C=C2C(=N1)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O3/c1-2-3-11-25-20-17(13-14-7-4-5-10-18(14)22-20)19(24-25)23-21(27)15-8-6-9-16(12-15)26(28)29/h4-10,12-13H,2-3,11H2,1H3,(H,23,24,27)