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

Systemtic Name: N-(1-butyl-3-cyano-pyrrolo[3,2-b]quinoxalin-2-yl)-3-nitro-benzamide Openeye Name: N-(1-butyl-3-cyano-pyrrolo[3,2-b]quinoxalin-2-yl)-3-nitro-benzamide CAS Name: N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]quinoxalinyl)-3-nitrobenzamide IUPAC Name: N-(1-butyl-3-cyanopyrrolo[3,2-b]quinoxalin-2-yl)-3-nitrobenzamide Traditional Name: N-(1-butyl-3-cyano-pyrrolo[3,2-b]quinoxalin-2-yl)-3-nitro-benzamide Formula: C22H18N6O3 MolecularWeight: 414.41672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C#N)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C#N)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N6O3/c1-2-3-11-27-20(26-22(29)14-7-6-8-15(12-14)28(30)31)16(13-23)19-21(27)25-18-10-5-4-9-17(18)24-19/h4-10,12H,2-3,11H2,1H3,(H,26,29)