2-ethoxy-2-[6-[(4-nitrophenyl)methoxy]quinolin-3-yl]propanoic acid

Systemtic Name: 2-ethoxy-2-[6-[(4-nitrophenyl)methoxy]quinolin-3-yl]propanoic acid Openeye Name: 2-ethoxy-2-[6-[(4-nitrophenyl)methoxy]-3-quinolyl]propanoic acid CAS Name: 2-ethoxy-2-[6-[(4-nitrophenyl)methoxy]-3-quinolinyl]propanoic acid IUPAC Name: 2-ethoxy-2-[6-[(4-nitrophenyl)methoxy]quinolin-3-yl]propanoic acid Traditional Name: 2-ethoxy-2-[6-(4-nitrobenzyl)oxy-3-quinolyl]propionic acid Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C)(C1=CN=C2C=CC(=CC2=C1)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCOC(C)(C1=CN=C2C=CC(=CC2=C1)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H20N2O6/c1-3-29-21(2,20(24)25)16-10-15-11-18(8-9-19(15)22-12-16)28-13-14-4-6-17(7-5-14)23(26)27/h4-12H,3,13H2,1-2H3,(H,24,25)