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

Systemtic Name: N-(3-cyano-1-octan-3-yl-pyrrolo[3,2-b]quinoxalin-2-yl)-3-nitro-benzamide Openeye Name: N-[3-cyano-1-(1-ethylhexyl)pyrrolo[3,2-b]quinoxalin-2-yl]-3-nitro-benzamide CAS Name: N-(3-cyano-1-octan-3-yl-2-pyrrolo[3,2-b]quinoxalinyl)-3-nitrobenzamide IUPAC Name: N-(3-cyano-1-octan-3-ylpyrrolo[3,2-b]quinoxalin-2-yl)-3-nitrobenzamide Traditional Name: N-[3-cyano-1-(1-ethylhexyl)pyrrolo[3,2-b]quinoxalin-2-yl]-3-nitro-benzamide Formula: C26H26N6O3 MolecularWeight: 470.52304

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C26H26N6O3/c1-3-5-6-11-18(4-2)31-24(30-26(33)17-10-9-12-19(15-17)32(34)35)20(16-27)23-25(31)29-22-14-8-7-13-21(22)28-23/h7-10,12-15,18H,3-6,11H2,1-2H3,(H,30,33)