(phenylmethyl) 2-(2-methyl-5-nitro-imidazol-1-yl)ethanoate

Systemtic Name: (phenylmethyl) 2-(2-methyl-5-nitro-imidazol-1-yl)ethanoate Openeye Name: benzyl 2-(2-methyl-5-nitro-imidazol-1-yl)acetate CAS Name: 2-(2-methyl-5-nitro-1-imidazolyl)acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(2-methyl-5-nitroimidazol-1-yl)acetate Traditional Name: 2-(2-methyl-5-nitro-imidazol-1-yl)acetic acid benzyl ester Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CC(=O)OCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CC(=O)OCC2=CC=CC=C2)[N+](=O)[O-]

InChI

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