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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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