2-methylpropyl 3-(2-chloranyl-4-nitro-imidazol-1-yl)-2-oxidanyl-2-piperazin-1-yl-piperidine-1-carboxylate

Systemtic Name: 2-methylpropyl 3-(2-chloranyl-4-nitro-imidazol-1-yl)-2-oxidanyl-2-piperazin-1-yl-piperidine-1-carboxylate Openeye Name: isobutyl 3-(2-chloro-4-nitro-imidazol-1-yl)-2-hydroxy-2-piperazin-1-yl-piperidine-1-carboxylate CAS Name: 3-(2-chloro-4-nitro-1-imidazolyl)-2-hydroxy-2-(1-piperazinyl)-1-piperidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-(2-chloro-4-nitroimidazol-1-yl)-2-hydroxy-2-piperazin-1-ylpiperidine-1-carboxylate Traditional Name: 3-(2-chloro-4-nitro-imidazol-1-yl)-2-hydroxy-2-piperazino-piperidine-1-carboxylic acid isobutyl ester Formula: C17H27ClN6O5 MolecularWeight: 430.88648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)N1CCCC(C1(N2CCNCC2)O)N3C=C(N=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)COC(=O)N1CCCC(C1(N2CCNCC2)O)N3C=C(N=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H27ClN6O5/c1-12(2)11-29-16(25)23-7-3-4-13(17(23,26)21-8-5-19-6-9-21)22-10-14(24(27)28)20-15(22)18/h10,12-13,19,26H,3-9,11H2,1-2H3