octyl 2-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate

Systemtic Name: octyl 2-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: octyl 2-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate CAS Name: 2-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid octyl ester IUPAC Name: octyl 2-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Traditional Name: 2-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid octyl ester Formula: C26H30N4O4 MolecularWeight: 462.5408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=C(NC2=NC3=CC=CC=C3N2C1C4=CC(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CCCCCCCCOC(=O)C1=C(NC2=NC3=CC=CC=C3N2C1C4=CC(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C26H30N4O4/c1-3-4-5-6-7-10-16-34-25(31)23-18(2)27-26-28-21-14-8-9-15-22(21)29(26)24(23)19-12-11-13-20(17-19)30(32)33/h8-9,11-15,17,24H,3-7,10,16H2,1-2H3,(H,27,28)