[(1R)-1-(3-nitrophenyl)ethyl] 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate

Systemtic Name: [(1R)-1-(3-nitrophenyl)ethyl] 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate Openeye Name: [(1R)-1-(3-nitrophenyl)ethyl] 3-(3,5-dimethylisoxazol-4-yl)propanoate CAS Name: 3-(3,5-dimethyl-4-isoxazolyl)propanoic acid [(1R)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1R)-1-(3-nitrophenyl)ethyl] 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate Traditional Name: 3-(3,5-dimethylisoxazol-4-yl)propionic acid [(1R)-1-(3-nitrophenyl)ethyl] ester Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CCC(=O)OC(C)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)CCC(=O)O[C@H](C)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O5/c1-10-15(12(3)23-17-10)7-8-16(19)22-11(2)13-5-4-6-14(9-13)18(20)21/h4-6,9,11H,7-8H2,1-3H3/t11-/m1/s1