[3-(2-chloranyl-4-nitro-imidazol-1-yl)-2-methyl-2-oxidanyl-propyl] 6-chloranyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: [3-(2-chloranyl-4-nitro-imidazol-1-yl)-2-methyl-2-oxidanyl-propyl] 6-chloranyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: [3-(2-chloro-4-nitro-imidazol-1-yl)-2-hydroxy-2-methyl-propyl] 6-chloro-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 6-chloro-3,4-dihydro-1H-isoquinoline-2-carboxylic 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] 6-chloro-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 6-chloro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid [3-(2-chloro-4-nitro-imidazol-1-yl)-2-hydroxy-2-methyl-propyl] ester Formula: C17H18Cl2N4O5 MolecularWeight: 429.25462

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=C(N=C1Cl)[N+](=O)[O-])(COC(=O)N2CCC3=C(C2)C=CC(=C3)Cl)O

Isomeric SMILES

CC(CN1C=C(N=C1Cl)[N+](=O)[O-])(COC(=O)N2CCC3=C(C2)C=CC(=C3)Cl)O

InChI

InChI=1S/C17H18Cl2N4O5/c1-17(25,9-22-8-14(23(26)27)20-15(22)19)10-28-16(24)21-5-4-11-6-13(18)3-2-12(11)7-21/h2-3,6,8,25H,4-5,7,9-10H2,1H3