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

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

CCCCC(CC)CN1C(=C(C2=NC3=CC=CC=C3N=C21)C#N)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCC(CC)CN1C(=C(C2=NC3=CC=CC=C3N=C21)C#N)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C26H25ClN6O3/c1-3-5-8-16(4-2)15-32-24(31-26(34)17-11-12-19(27)22(13-17)33(35)36)18(14-28)23-25(32)30-21-10-7-6-9-20(21)29-23/h6-7,9-13,16H,3-5,8,15H2,1-2H3,(H,31,34)