ethyl 4-(2-chloranyl-5-nitro-phenyl)-2-propyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate

Systemtic Name: ethyl 4-(2-chloranyl-5-nitro-phenyl)-2-propyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: ethyl 4-(2-chloro-5-nitro-phenyl)-2-propyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate CAS Name: 4-(2-chloro-5-nitrophenyl)-2-propyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-chloro-5-nitrophenyl)-2-propyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Traditional Name: 4-(2-chloro-5-nitro-phenyl)-2-propyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester Formula: C22H21ClN4O4 MolecularWeight: 440.87954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN4O4/c1-3-7-17-19(21(28)31-4-2)20(14-12-13(27(29)30)10-11-15(14)23)26-18-9-6-5-8-16(18)24-22(26)25-17/h5-6,8-12,20H,3-4,7H2,1-2H3,(H,24,25)