(2-methoxy-5-nitro-phenyl)methyl 3-quinolin-2-ylpropanoate

Systemtic Name: (2-methoxy-5-nitro-phenyl)methyl 3-quinolin-2-ylpropanoate Openeye Name: (2-methoxy-5-nitro-phenyl)methyl 3-(2-quinolyl)propanoate CAS Name: 3-(2-quinolinyl)propanoic acid (2-methoxy-5-nitrophenyl)methyl ester IUPAC Name: (2-methoxy-5-nitrophenyl)methyl 3-quinolin-2-ylpropanoate Traditional Name: 3-(2-quinolyl)propionic acid (2-methoxy-5-nitro-benzyl) ester Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])COC(=O)CCC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])COC(=O)CCC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C20H18N2O5/c1-26-19-10-9-17(22(24)25)12-15(19)13-27-20(23)11-8-16-7-6-14-4-2-3-5-18(14)21-16/h2-7,9-10,12H,8,11,13H2,1H3