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

Systemtic Name: 2-methylpropyl 3-(2-chloranyl-4-nitro-imidazol-1-yl)-4-[(4-chlorophenyl)methyl]-2-oxidanyl-piperazine-1-carboxylate Openeye Name: isobutyl 3-(2-chloro-4-nitro-imidazol-1-yl)-4-[(4-chlorophenyl)methyl]-2-hydroxy-piperazine-1-carboxylate CAS Name: 3-(2-chloro-4-nitro-1-imidazolyl)-4-[(4-chlorophenyl)methyl]-2-hydroxy-1-piperazinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-(2-chloro-4-nitroimidazol-1-yl)-4-[(4-chlorophenyl)methyl]-2-hydroxypiperazine-1-carboxylate Traditional Name: 4-(4-chlorobenzyl)-3-(2-chloro-4-nitro-imidazol-1-yl)-2-hydroxy-piperazine-1-carboxylic acid isobutyl ester Formula: C19H23Cl2N5O5 MolecularWeight: 472.32242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)N1CCN(C(C1O)N2C=C(N=C2Cl)[N+](=O)[O-])CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)COC(=O)N1CCN(C(C1O)N2C=C(N=C2Cl)[N+](=O)[O-])CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H23Cl2N5O5/c1-12(2)11-31-19(28)24-8-7-23(9-13-3-5-14(20)6-4-13)16(17(24)27)25-10-15(26(29)30)22-18(25)21/h3-6,10,12,16-17,27H,7-9,11H2,1-2H3