[(2R)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 2-methyl-3-nitro-benzoate

Systemtic Name: [(2R)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 2-methyl-3-nitro-benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(p-tolyl)ethyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [(1R)-2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C18H17NO5 MolecularWeight: 327.33128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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