[3-[2-(2-methoxyquinolin-3-yl)-2-oxidanyl-ethyl]-4-nitro-phenyl]methyl ethanoate

Systemtic Name: [3-[2-(2-methoxyquinolin-3-yl)-2-oxidanyl-ethyl]-4-nitro-phenyl]methyl ethanoate Openeye Name: [3-[2-hydroxy-2-(2-methoxy-3-quinolyl)ethyl]-4-nitro-phenyl]methyl acetate CAS Name: acetic acid [3-[2-hydroxy-2-(2-methoxy-3-quinolinyl)ethyl]-4-nitrophenyl]methyl ester IUPAC Name: [3-[2-hydroxy-2-(2-methoxyquinolin-3-yl)ethyl]-4-nitrophenyl]methyl acetate Traditional Name: acetic acid [3-[2-hydroxy-2-(2-methoxy-3-quinolyl)ethyl]-4-nitro-benzyl] ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC(=C(C=C1)[N+](=O)[O-])CC(C2=CC3=CC=CC=C3N=C2OC)O

Isomeric SMILES

CC(=O)OCC1=CC(=C(C=C1)[N+](=O)[O-])CC(C2=CC3=CC=CC=C3N=C2OC)O

InChI

InChI=1S/C21H20N2O6/c1-13(24)29-12-14-7-8-19(23(26)27)16(9-14)11-20(25)17-10-15-5-3-4-6-18(15)22-21(17)28-2/h3-10,20,25H,11-12H2,1-2H3