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

Systemtic Name: N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-5-nitro-2-propan-2-yloxy-benzamide Openeye Name: N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-isopropoxy-5-nitro-benzamide CAS Name: N-(3-cyano-2-pyrimido[1,2-a]benzimidazolyl)-5-nitro-2-propan-2-yloxybenzamide IUPAC Name: N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-5-nitro-2-propan-2-yloxybenzamide Traditional Name: N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-isopropoxy-5-nitro-benzamide Formula: C21H16N6O4 MolecularWeight: 416.38954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=NC3=NC4=CC=CC=C4N3C=C2C#N

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=NC3=NC4=CC=CC=C4N3C=C2C#N

InChI

InChI=1S/C21H16N6O4/c1-12(2)31-18-8-7-14(27(29)30)9-15(18)20(28)24-19-13(10-22)11-26-17-6-4-3-5-16(17)23-21(26)25-19/h3-9,11-12H,1-2H3,(H,23,24,25,28)