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

Systemtic Name: ethyl 4-(2-chloranyl-5-nitro-phenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: ethyl 4-(2-chloro-5-nitro-phenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate CAS Name: 4-(2-chloro-5-nitrophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-chloro-5-nitrophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Traditional Name: 4-(2-chloro-5-nitro-phenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester Formula: C20H17ClN4O4 MolecularWeight: 412.82638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN4O4/c1-3-29-19(26)17-11(2)22-20-23-15-6-4-5-7-16(15)24(20)18(17)13-10-12(25(27)28)8-9-14(13)21/h4-10,18H,3H2,1-2H3,(H,22,23)