(phenylmethyl) 4-[3-(2-chloranyl-4-nitro-imidazol-1-yl)-2-methyl-2-oxidanyl-propyl]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[3-(2-chloranyl-4-nitro-imidazol-1-yl)-2-methyl-2-oxidanyl-propyl]piperazine-1-carboxylate Openeye Name: benzyl 4-[3-(2-chloro-4-nitro-imidazol-1-yl)-2-hydroxy-2-methyl-propyl]piperazine-1-carboxylate CAS Name: 4-[3-(2-chloro-4-nitro-1-imidazolyl)-2-hydroxy-2-methylpropyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[3-(2-chloro-4-nitroimidazol-1-yl)-2-hydroxy-2-methylpropyl]piperazine-1-carboxylate Traditional Name: 4-[3-(2-chloro-4-nitro-imidazol-1-yl)-2-hydroxy-2-methyl-propyl]piperazine-1-carboxylic acid benzyl ester Formula: C19H24ClN5O5 MolecularWeight: 437.87736

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCN(CC1)C(=O)OCC2=CC=CC=C2)(CN3C=C(N=C3Cl)[N+](=O)[O-])O

Isomeric SMILES

CC(CN1CCN(CC1)C(=O)OCC2=CC=CC=C2)(CN3C=C(N=C3Cl)[N+](=O)[O-])O

InChI

InChI=1S/C19H24ClN5O5/c1-19(27,14-24-11-16(25(28)29)21-17(24)20)13-22-7-9-23(10-8-22)18(26)30-12-15-5-3-2-4-6-15/h2-6,11,27H,7-10,12-14H2,1H3