1-(furan-2-ylmethyl)-3-[(3-nitrophenyl)methyl]-2-oxidanyl-pyrimido[1,2-a]benzimidazol-4-one

Systemtic Name: 1-(furan-2-ylmethyl)-3-[(3-nitrophenyl)methyl]-2-oxidanyl-pyrimido[1,2-a]benzimidazol-4-one Openeye Name: 1-(2-furylmethyl)-2-hydroxy-3-[(3-nitrophenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one CAS Name: 1-(2-furanylmethyl)-2-hydroxy-3-[(3-nitrophenyl)methyl]-4-pyrimido[1,2-a]benzimidazolone IUPAC Name: 1-(furan-2-ylmethyl)-2-hydroxy-3-[(3-nitrophenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one Traditional Name: 1-(2-furfuryl)-2-hydroxy-3-(3-nitrobenzyl)pyrimido[1,2-a]benzimidazol-4-one Formula: C22H16N4O5 MolecularWeight: 416.38624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C3N2C(=O)C(=C(N3CC4=CC=CO4)O)CC5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C3N2C(=O)C(=C(N3CC4=CC=CO4)O)CC5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H16N4O5/c27-20-17(12-14-5-3-6-15(11-14)26(29)30)21(28)25-19-9-2-1-8-18(19)23-22(25)24(20)13-16-7-4-10-31-16/h1-11,27H,12-13H2