2-(2-methyl-5-nitro-imidazol-1-yl)ethyl benzoate

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl benzoate Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl benzoate CAS Name: benzoic acid 2-(2-methyl-5-nitro-1-imidazolyl)ethyl ester IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl benzoate Traditional Name: benzoic acid 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl ester Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCOC(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCOC(=O)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O4/c1-10-14-9-12(16(18)19)15(10)7-8-20-13(17)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3