[2-acetyloxy-2-(1-methyl-5-nitro-imidazol-2-yl)-1-(4-methylphenyl)ethyl] ethanoate

Systemtic Name: [2-acetyloxy-2-(1-methyl-5-nitro-imidazol-2-yl)-1-(4-methylphenyl)ethyl] ethanoate Openeye Name: [2-acetoxy-2-(1-methyl-5-nitro-imidazol-2-yl)-1-(p-tolyl)ethyl] acetate CAS Name: acetic acid [2-acetyloxy-2-(1-methyl-5-nitro-2-imidazolyl)-1-(4-methylphenyl)ethyl] ester IUPAC Name: [2-acetyloxy-2-(1-methyl-5-nitroimidazol-2-yl)-1-(4-methylphenyl)ethyl] acetate Traditional Name: acetic acid [2-acetoxy-2-(1-methyl-5-nitro-imidazol-2-yl)-1-(p-tolyl)ethyl] ester Formula: C17H19N3O6 MolecularWeight: 361.34926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(C2=NC=C(N2C)[N+](=O)[O-])OC(=O)C)OC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(C(C2=NC=C(N2C)[N+](=O)[O-])OC(=O)C)OC(=O)C

InChI

InChI=1S/C17H19N3O6/c1-10-5-7-13(8-6-10)15(25-11(2)21)16(26-12(3)22)17-18-9-14(19(17)4)20(23)24/h5-9,15-16H,1-4H3