[(1R)-1-(3-nitrophenyl)ethyl] 4-methyl-2-oxidanyl-benzoate

Systemtic Name: [(1R)-1-(3-nitrophenyl)ethyl] 4-methyl-2-oxidanyl-benzoate Openeye Name: [(1R)-1-(3-nitrophenyl)ethyl] 2-hydroxy-4-methyl-benzoate CAS Name: 2-hydroxy-4-methylbenzoic acid [(1R)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1R)-1-(3-nitrophenyl)ethyl] 2-hydroxy-4-methylbenzoate Traditional Name: 2-hydroxy-4-methyl-benzoic acid [(1R)-1-(3-nitrophenyl)ethyl] ester Formula: C16H15NO5 MolecularWeight: 301.294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO5/c1-10-6-7-14(15(18)8-10)16(19)22-11(2)12-4-3-5-13(9-12)17(20)21/h3-9,11,18H,1-2H3/t11-/m1/s1