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

Systemtic Name: 4-chloranyl-N-(3-cyano-1-pentyl-pyrrolo[3,2-b]quinoxalin-2-yl)-3-nitro-benzamide Openeye Name: 4-chloro-N-(3-cyano-1-pentyl-pyrrolo[3,2-b]quinoxalin-2-yl)-3-nitro-benzamide CAS Name: 4-chloro-N-(3-cyano-1-pentyl-2-pyrrolo[3,2-b]quinoxalinyl)-3-nitrobenzamide IUPAC Name: 4-chloro-N-(3-cyano-1-pentylpyrrolo[3,2-b]quinoxalin-2-yl)-3-nitrobenzamide Traditional Name: N-(1-amyl-3-cyano-pyrrolo[3,2-b]quinoxalin-2-yl)-4-chloro-3-nitro-benzamide Formula: C23H19ClN6O3 MolecularWeight: 462.88836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19ClN6O3/c1-2-3-6-11-29-21(28-23(31)14-9-10-16(24)19(12-14)30(32)33)15(13-25)20-22(29)27-18-8-5-4-7-17(18)26-20/h4-5,7-10,12H,2-3,6,11H2,1H3,(H,28,31)