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

Systemtic Name: [3-(2-chloranyl-4-nitro-imidazol-1-yl)-2-methyl-2-oxidanyl-propyl] 4-nitrobenzoate Openeye Name: [3-(2-chloro-4-nitro-imidazol-1-yl)-2-hydroxy-2-methyl-propyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic 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] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [3-(2-chloro-4-nitro-imidazol-1-yl)-2-hydroxy-2-methyl-propyl] ester Formula: C14H13ClN4O7 MolecularWeight: 384.72862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13ClN4O7/c1-14(21,7-17-6-11(19(24)25)16-13(17)15)8-26-12(20)9-2-4-10(5-3-9)18(22)23/h2-6,21H,7-8H2,1H3