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

Systemtic Name: N-[3-cyano-1-(phenylmethyl)pyrrolo[3,2-b]quinoxalin-2-yl]-3-nitro-benzamide Openeye Name: N-(1-benzyl-3-cyano-pyrrolo[3,2-b]quinoxalin-2-yl)-3-nitro-benzamide CAS Name: N-[3-cyano-1-(phenylmethyl)-2-pyrrolo[3,2-b]quinoxalinyl]-3-nitrobenzamide IUPAC Name: N-(1-benzyl-3-cyanopyrrolo[3,2-b]quinoxalin-2-yl)-3-nitrobenzamide Traditional Name: N-(1-benzyl-3-cyano-pyrrolo[3,2-b]quinoxalin-2-yl)-3-nitro-benzamide Formula: C25H16N6O3 MolecularWeight: 448.43294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C(C3=NC4=CC=CC=C4N=C32)C#N)NC(=O)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(C3=NC4=CC=CC=C4N=C32)C#N)NC(=O)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H16N6O3/c26-14-19-22-24(28-21-12-5-4-11-20(21)27-22)30(15-16-7-2-1-3-8-16)23(19)29-25(32)17-9-6-10-18(13-17)31(33)34/h1-13H,15H2,(H,29,32)