[1-(2-methyl-5-nitro-imidazol-1-yl)-2-oxidanyl-propyl] benzoate

Systemtic Name: [1-(2-methyl-5-nitro-imidazol-1-yl)-2-oxidanyl-propyl] benzoate Openeye Name: [2-hydroxy-1-(2-methyl-5-nitro-imidazol-1-yl)propyl] benzoate CAS Name: benzoic acid [2-hydroxy-1-(2-methyl-5-nitro-1-imidazolyl)propyl] ester IUPAC Name: [2-hydroxy-1-(2-methyl-5-nitroimidazol-1-yl)propyl] benzoate Traditional Name: benzoic acid [2-hydroxy-1-(2-methyl-5-nitro-imidazol-1-yl)propyl] ester Formula: C14H15N3O5 MolecularWeight: 305.286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1C(C(C)O)OC(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1C(C(C)O)OC(=O)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O5/c1-9(18)13(16-10(2)15-8-12(16)17(20)21)22-14(19)11-6-4-3-5-7-11/h3-9,13,18H,1-2H3