[(1R)-1-phenylethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate

Systemtic Name: [(1R)-1-phenylethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: [(1R)-1-phenylethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic acid [(1R)-1-phenylethyl] ester IUPAC Name: [(1R)-1-phenylethyl] 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid [(1R)-1-phenylethyl] ester Formula: C18H19NO6 MolecularWeight: 345.34656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OC(C)C2=CC=CC=C2)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)O[C@H](C)C2=CC=CC=C2)OC

InChI

InChI=1S/C18H19NO6/c1-4-24-17-11-15(19(21)22)14(10-16(17)23-3)18(20)25-12(2)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3/t12-/m1/s1