[3-(2-chloranyl-4-nitro-imidazol-1-yl)-2-methyl-2-oxidanyl-propyl] N-[(4-fluorophenyl)methyl]-N-methyl-carbamate

Systemtic Name: [3-(2-chloranyl-4-nitro-imidazol-1-yl)-2-methyl-2-oxidanyl-propyl] N-[(4-fluorophenyl)methyl]-N-methyl-carbamate Openeye Name: [3-(2-chloro-4-nitro-imidazol-1-yl)-2-hydroxy-2-methyl-propyl] N-[(4-fluorophenyl)methyl]-N-methyl-carbamate CAS Name: N-[(4-fluorophenyl)methyl]-N-methylcarbamic 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] N-[(4-fluorophenyl)methyl]-N-methylcarbamate Traditional Name: N-(4-fluorobenzyl)-N-methyl-carbamic acid [3-(2-chloro-4-nitro-imidazol-1-yl)-2-hydroxy-2-methyl-propyl] ester Formula: C16H18ClFN4O5 MolecularWeight: 400.789323

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=C(N=C1Cl)[N+](=O)[O-])(COC(=O)N(C)CC2=CC=C(C=C2)F)O

Isomeric SMILES

CC(CN1C=C(N=C1Cl)[N+](=O)[O-])(COC(=O)N(C)CC2=CC=C(C=C2)F)O

InChI

InChI=1S/C16H18ClFN4O5/c1-16(24,9-21-8-13(22(25)26)19-14(21)17)10-27-15(23)20(2)7-11-3-5-12(18)6-4-11/h3-6,8,24H,7,9-10H2,1-2H3