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

Systemtic Name: ethyl 4-(4-nitrophenyl)-2-propyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: ethyl 4-(4-nitrophenyl)-2-propyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate CAS Name: 4-(4-nitrophenyl)-2-propyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-nitrophenyl)-2-propyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Traditional Name: 4-(4-nitrophenyl)-2-propyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(N2C3=CC=CC=C3N=C2N1)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCCC1=C(C(N2C3=CC=CC=C3N=C2N1)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C22H22N4O4/c1-3-7-17-19(21(27)30-4-2)20(14-10-12-15(13-11-14)26(28)29)25-18-9-6-5-8-16(18)23-22(25)24-17/h5-6,8-13,20H,3-4,7H2,1-2H3,(H,23,24)