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

Systemtic Name: 1-(2-methyl-5-nitro-imidazol-1-yl)propan-2-yl benzoate Openeye Name: [1-methyl-2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] benzoate CAS Name: benzoic acid 1-(2-methyl-5-nitro-1-imidazolyl)propan-2-yl ester IUPAC Name: 1-(2-methyl-5-nitroimidazol-1-yl)propan-2-yl benzoate Traditional Name: benzoic acid [1-methyl-2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] ester Formula: C14H15N3O4 MolecularWeight: 289.2866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O4/c1-10(21-14(18)12-6-4-3-5-7-12)9-16-11(2)15-8-13(16)17(19)20/h3-8,10H,9H2,1-2H3