[3-(2-chloranyl-4-nitro-imidazol-1-yl)-2-methyl-2-oxidanyl-propyl] 4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate

Systemtic Name: [3-(2-chloranyl-4-nitro-imidazol-1-yl)-2-methyl-2-oxidanyl-propyl] 4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate Openeye Name: [3-(2-chloro-4-nitro-imidazol-1-yl)-2-hydroxy-2-methyl-propyl] 4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate CAS Name: 4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid [3-(2-chloro-4-nitro-1-imidazolyl)-2-hydroxy-2-methylpropyl] ester IUPAC Name: [3-(2-chloro-4-nitroimidazol-1-yl)-2-hydroxy-2-methylpropyl] 4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate Traditional Name: 4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid [3-(2-chloro-4-nitro-imidazol-1-yl)-2-hydroxy-2-methyl-propyl] ester Formula: C20H23ClN4O6 MolecularWeight: 450.87282

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=C(N=C1Cl)[N+](=O)[O-])(COC(=O)N2CCC(=CC2)C3=CC=C(C=C3)OC)O

Isomeric SMILES

CC(CN1C=C(N=C1Cl)[N+](=O)[O-])(COC(=O)N2CCC(=CC2)C3=CC=C(C=C3)OC)O

InChI

InChI=1S/C20H23ClN4O6/c1-20(27,12-24-11-17(25(28)29)22-18(24)21)13-31-19(26)23-9-7-15(8-10-23)14-3-5-16(30-2)6-4-14/h3-7,11,27H,8-10,12-13H2,1-2H3