N-(3-cyano-1-octan-3-yl-pyrrolo[3,2-b]quinoxalin-2-yl)-3,5-dinitro-benzamide

Systemtic Name: N-(3-cyano-1-octan-3-yl-pyrrolo[3,2-b]quinoxalin-2-yl)-3,5-dinitro-benzamide Openeye Name: N-[3-cyano-1-(1-ethylhexyl)pyrrolo[3,2-b]quinoxalin-2-yl]-3,5-dinitro-benzamide CAS Name: N-(3-cyano-1-octan-3-yl-2-pyrrolo[3,2-b]quinoxalinyl)-3,5-dinitrobenzamide IUPAC Name: N-(3-cyano-1-octan-3-ylpyrrolo[3,2-b]quinoxalin-2-yl)-3,5-dinitrobenzamide Traditional Name: N-[3-cyano-1-(1-ethylhexyl)pyrrolo[3,2-b]quinoxalin-2-yl]-3,5-dinitro-benzamide Formula: C26H25N7O5 MolecularWeight: 515.5206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)N1C(=C(C2=NC3=CC=CC=C3N=C21)C#N)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCC(CC)N1C(=C(C2=NC3=CC=CC=C3N=C21)C#N)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C26H25N7O5/c1-3-5-6-9-17(4-2)31-24(20(15-27)23-25(31)29-22-11-8-7-10-21(22)28-23)30-26(34)16-12-18(32(35)36)14-19(13-16)33(37)38/h7-8,10-14,17H,3-6,9H2,1-2H3,(H,30,34)