[(2R)-1-(2,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 3-nitrobenzoate

Systemtic Name: [(2R)-1-(2,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 3-nitrobenzoate Openeye Name: [(1R)-2-(2,5-dimethylphenyl)-1-methyl-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [(2R)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [(1R)-2-(2,5-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C18H17NO5 MolecularWeight: 327.33128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)[C@@H](C)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H17NO5/c1-11-7-8-12(2)16(9-11)17(20)13(3)24-18(21)14-5-4-6-15(10-14)19(22)23/h4-10,13H,1-3H3/t13-/m1/s1