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

Systemtic Name: [3-(2-chloranyl-4-nitro-imidazol-1-yl)-2-methyl-2-oxidanyl-propyl] 4-(4-bromophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate Openeye Name: [3-(2-chloro-4-nitro-imidazol-1-yl)-2-hydroxy-2-methyl-propyl] 4-(4-bromophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate CAS Name: 4-(4-bromophenyl)-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-bromophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate Traditional Name: 4-(4-bromophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid [3-(2-chloro-4-nitro-imidazol-1-yl)-2-hydroxy-2-methyl-propyl] ester Formula: C19H20BrClN4O5 MolecularWeight: 499.7429

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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)Br)O

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrClN4O5/c1-19(27,11-24-10-16(25(28)29)22-17(24)21)12-30-18(26)23-8-6-14(7-9-23)13-2-4-15(20)5-3-13/h2-6,10,27H,7-9,11-12H2,1H3