[3-(2-chloranyl-4-nitro-imidazol-1-yl)-2-methyl-2-oxidanyl-propyl] 5-chloranyl-1,3-dihydroisoindole-2-carboxylate

Systemtic Name: [3-(2-chloranyl-4-nitro-imidazol-1-yl)-2-methyl-2-oxidanyl-propyl] 5-chloranyl-1,3-dihydroisoindole-2-carboxylate Openeye Name: [3-(2-chloro-4-nitro-imidazol-1-yl)-2-hydroxy-2-methyl-propyl] 5-chloroisoindoline-2-carboxylate CAS Name: 5-chloro-1,3-dihydroisoindole-2-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] 5-chloro-1,3-dihydroisoindole-2-carboxylate Traditional Name: 5-chloroisoindoline-2-carboxylic acid [3-(2-chloro-4-nitro-imidazol-1-yl)-2-hydroxy-2-methyl-propyl] ester Formula: C16H16Cl2N4O5 MolecularWeight: 415.22804

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=C(N=C1Cl)[N+](=O)[O-])(COC(=O)N2CC3=C(C2)C=C(C=C3)Cl)O

Isomeric SMILES

CC(CN1C=C(N=C1Cl)[N+](=O)[O-])(COC(=O)N2CC3=C(C2)C=C(C=C3)Cl)O

InChI

InChI=1S/C16H16Cl2N4O5/c1-16(24,8-21-7-13(22(25)26)19-14(21)18)9-27-15(23)20-5-10-2-3-12(17)4-11(10)6-20/h2-4,7,24H,5-6,8-9H2,1H3