diethyl 1-[3-(benzimidazol-1-yl)-2-oxidanyl-propyl]-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: diethyl 1-[3-(benzimidazol-1-yl)-2-oxidanyl-propyl]-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: diethyl 1-[3-(benzimidazol-1-yl)-2-hydroxy-propyl]-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 1-[3-(1-benzimidazolyl)-2-hydroxypropyl]-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1-[3-(benzimidazol-1-yl)-2-hydroxypropyl]-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-[3-(benzimidazol-1-yl)-2-hydroxy-propyl]-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester Formula: C29H32N4O7 MolecularWeight: 548.58698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)C)CC(CN3C=NC4=CC=CC=C43)O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)C)CC(CN3C=NC4=CC=CC=C43)O)C

InChI

InChI=1S/C29H32N4O7/c1-5-39-28(35)25-18(3)32(16-22(34)15-31-17-30-23-12-7-8-13-24(23)31)19(4)26(29(36)40-6-2)27(25)20-10-9-11-21(14-20)33(37)38/h7-14,17,22,27,34H,5-6,15-16H2,1-4H3