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

Systemtic Name: [3-(2-chloranyl-4-nitro-imidazol-1-yl)-2-methyl-2-oxidanyl-propyl] N-(4-bromophenyl)carbamate Openeye Name: [3-(2-chloro-4-nitro-imidazol-1-yl)-2-hydroxy-2-methyl-propyl] N-(4-bromophenyl)carbamate CAS Name: N-(4-bromophenyl)carbamic 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-bromophenyl)carbamate Traditional Name: N-(4-bromophenyl)carbamic acid [3-(2-chloro-4-nitro-imidazol-1-yl)-2-hydroxy-2-methyl-propyl] ester Formula: C14H14BrClN4O5 MolecularWeight: 433.64176

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=C(N=C1Cl)[N+](=O)[O-])(COC(=O)NC2=CC=C(C=C2)Br)O

Isomeric SMILES

CC(CN1C=C(N=C1Cl)[N+](=O)[O-])(COC(=O)NC2=CC=C(C=C2)Br)O

InChI

InChI=1S/C14H14BrClN4O5/c1-14(22,7-19-6-11(20(23)24)18-12(19)16)8-25-13(21)17-10-4-2-9(15)3-5-10/h2-6,22H,7-8H2,1H3,(H,17,21)