ethyl 1-(3-methylbutyl)-4-(3-nitrophenyl)-2-oxidanylidene-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate

Systemtic Name: ethyl 1-(3-methylbutyl)-4-(3-nitrophenyl)-2-oxidanylidene-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: ethyl 1-isopentyl-4-(3-nitrophenyl)-2-oxo-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate CAS Name: 1-(3-methylbutyl)-4-(3-nitrophenyl)-2-oxo-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-methylbutyl)-4-(3-nitrophenyl)-2-oxo-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Traditional Name: 1-isoamyl-2-keto-4-(3-nitrophenyl)-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester Formula: C24H26N4O5 MolecularWeight: 450.48704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N2C3=CC=CC=C3N=C2N(C1=O)CCC(C)C)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1C(N2C3=CC=CC=C3N=C2N(C1=O)CCC(C)C)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H26N4O5/c1-4-33-23(30)20-21(16-8-7-9-17(14-16)28(31)32)27-19-11-6-5-10-18(19)25-24(27)26(22(20)29)13-12-15(2)3/h5-11,14-15,20-21H,4,12-13H2,1-3H3