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

Systemtic Name: N-(3-cyano-1-pentyl-pyrrolo[3,2-b]quinoxalin-2-yl)-3,5-dinitro-benzamide Openeye Name: N-(3-cyano-1-pentyl-pyrrolo[3,2-b]quinoxalin-2-yl)-3,5-dinitro-benzamide CAS Name: N-(3-cyano-1-pentyl-2-pyrrolo[3,2-b]quinoxalinyl)-3,5-dinitrobenzamide IUPAC Name: N-(3-cyano-1-pentylpyrrolo[3,2-b]quinoxalin-2-yl)-3,5-dinitrobenzamide Traditional Name: N-(1-amyl-3-cyano-pyrrolo[3,2-b]quinoxalin-2-yl)-3,5-dinitro-benzamide Formula: C23H19N7O5 MolecularWeight: 473.44086

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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-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H19N7O5/c1-2-3-6-9-28-21(17(13-24)20-22(28)26-19-8-5-4-7-18(19)25-20)27-23(31)14-10-15(29(32)33)12-16(11-14)30(34)35/h4-5,7-8,10-12H,2-3,6,9H2,1H3,(H,27,31)