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

Systemtic Name: 4-chloranyl-N-(3-cyano-1-octan-3-yl-pyrrolo[3,2-b]quinoxalin-2-yl)-3-nitro-benzamide Openeye Name: 4-chloro-N-[3-cyano-1-(1-ethylhexyl)pyrrolo[3,2-b]quinoxalin-2-yl]-3-nitro-benzamide CAS Name: 4-chloro-N-(3-cyano-1-octan-3-yl-2-pyrrolo[3,2-b]quinoxalinyl)-3-nitrobenzamide IUPAC Name: 4-chloro-N-(3-cyano-1-octan-3-ylpyrrolo[3,2-b]quinoxalin-2-yl)-3-nitrobenzamide Traditional Name: 4-chloro-N-[3-cyano-1-(1-ethylhexyl)pyrrolo[3,2-b]quinoxalin-2-yl]-3-nitro-benzamide Formula: C26H25ClN6O3 MolecularWeight: 504.9681

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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(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C26H25ClN6O3/c1-3-5-6-9-17(4-2)32-24(31-26(34)16-12-13-19(27)22(14-16)33(35)36)18(15-28)23-25(32)30-21-11-8-7-10-20(21)29-23/h7-8,10-14,17H,3-6,9H2,1-2H3,(H,31,34)