(phenylmethyl) 2,3-dimethyl-5-nitro-imidazole-4-carboxylate

Systemtic Name: (phenylmethyl) 2,3-dimethyl-5-nitro-imidazole-4-carboxylate Openeye Name: benzyl 2,3-dimethyl-5-nitro-imidazole-4-carboxylate CAS Name: 2,3-dimethyl-5-nitro-4-imidazolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2,3-dimethyl-5-nitroimidazole-4-carboxylate Traditional Name: 2,3-dimethyl-5-nitro-imidazole-4-carboxylic acid benzyl ester Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1C)C(=O)OCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(N1C)C(=O)OCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O4/c1-9-14-12(16(18)19)11(15(9)2)13(17)20-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3