(2,4,5-trimethyl-1-nitro-5-oxidanyl-imidazol-2-yl)methyl benzoate

Systemtic Name: (2,4,5-trimethyl-1-nitro-5-oxidanyl-imidazol-2-yl)methyl benzoate Openeye Name: (5-hydroxy-2,4,5-trimethyl-1-nitro-imidazol-2-yl)methyl benzoate CAS Name: benzoic acid (5-hydroxy-2,4,5-trimethyl-1-nitro-2-imidazolyl)methyl ester IUPAC Name: (5-hydroxy-2,4,5-trimethyl-1-nitroimidazol-2-yl)methyl benzoate Traditional Name: benzoic acid (5-hydroxy-2,4,5-trimethyl-1-nitro-3-imidazolin-2-yl)methyl ester Formula: C14H17N3O5 MolecularWeight: 307.30188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(N(C1(C)O)[N+](=O)[O-])(C)COC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=NC(N(C1(C)O)[N+](=O)[O-])(C)COC(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H17N3O5/c1-10-14(3,19)16(17(20)21)13(2,15-10)9-22-12(18)11-7-5-4-6-8-11/h4-8,19H,9H2,1-3H3