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

Systemtic Name: propan-2-yl (4S)-4-(2-chloranyl-5-nitro-phenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: isopropyl (4S)-4-(2-chloro-5-nitro-phenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate CAS Name: (4S)-4-(2-chloro-5-nitrophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (4S)-4-(2-chloro-5-nitrophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Traditional Name: (4S)-4-(2-chloro-5-nitro-phenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid isopropyl ester Formula: C21H19ClN4O4 MolecularWeight: 426.85296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C3=CC=CC=C3N=C2N1)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)C(=O)OC(C)C

Isomeric SMILES

CC1=C([C@H](N2C3=CC=CC=C3N=C2N1)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)C(=O)OC(C)C

InChI

InChI=1S/C21H19ClN4O4/c1-11(2)30-20(27)18-12(3)23-21-24-16-6-4-5-7-17(16)25(21)19(18)14-10-13(26(28)29)8-9-15(14)22/h4-11,19H,1-3H3,(H,23,24)/t19-/m1/s1