N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-5-nitro-2-pentoxy-benzamide

Systemtic Name: N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-5-nitro-2-pentoxy-benzamide Openeye Name: N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-5-nitro-2-pentoxy-benzamide CAS Name: N-(3-cyano-2-pyrimido[1,2-a]benzimidazolyl)-5-nitro-2-pentoxybenzamide IUPAC Name: N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-5-nitro-2-pentoxybenzamide Traditional Name: 2-amoxy-N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-5-nitro-benzamide Formula: C23H20N6O4 MolecularWeight: 444.4427

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=NC3=NC4=CC=CC=C4N3C=C2C#N

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=NC3=NC4=CC=CC=C4N3C=C2C#N

InChI

InChI=1S/C23H20N6O4/c1-2-3-6-11-33-20-10-9-16(29(31)32)12-17(20)22(30)26-21-15(13-24)14-28-19-8-5-4-7-18(19)25-23(28)27-21/h4-5,7-10,12,14H,2-3,6,11H2,1H3,(H,25,26,27,30)