N-(3-cyano-1-pentyl-pyrrolo[3,2-b]quinoxalin-2-yl)-3-nitro-benzamide

Systemtic Name: N-(3-cyano-1-pentyl-pyrrolo[3,2-b]quinoxalin-2-yl)-3-nitro-benzamide Openeye Name: N-(3-cyano-1-pentyl-pyrrolo[3,2-b]quinoxalin-2-yl)-3-nitro-benzamide CAS Name: N-(3-cyano-1-pentyl-2-pyrrolo[3,2-b]quinoxalinyl)-3-nitrobenzamide IUPAC Name: N-(3-cyano-1-pentylpyrrolo[3,2-b]quinoxalin-2-yl)-3-nitrobenzamide Traditional Name: N-(1-amyl-3-cyano-pyrrolo[3,2-b]quinoxalin-2-yl)-3-nitro-benzamide Formula: C23H20N6O3 MolecularWeight: 428.4433

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C#N)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C#N)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H20N6O3/c1-2-3-6-12-28-21(27-23(30)15-8-7-9-16(13-15)29(31)32)17(14-24)20-22(28)26-19-11-5-4-10-18(19)25-20/h4-5,7-11,13H,2-3,6,12H2,1H3,(H,27,30)