1-(2-nitroimidazol-1-yl)propan-2-yl benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=CN=C1[N+](=O)[O-])OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(CN1C=CN=C1[N+](=O)[O-])OC(=O)C2=CC=CC=C2

InChI

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