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

Systemtic Name: methyl 3-[2-(2-methoxyquinolin-3-yl)-2-oxidanyl-ethyl]-4-nitro-benzoate Openeye Name: methyl 3-[2-hydroxy-2-(2-methoxy-3-quinolyl)ethyl]-4-nitro-benzoate CAS Name: 3-[2-hydroxy-2-(2-methoxy-3-quinolinyl)ethyl]-4-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[2-hydroxy-2-(2-methoxyquinolin-3-yl)ethyl]-4-nitrobenzoate Traditional Name: 3-[2-hydroxy-2-(2-methoxy-3-quinolyl)ethyl]-4-nitro-benzoic acid methyl ester Formula: C20H18N2O6 MolecularWeight: 382.36672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC2=CC=CC=C2C=C1C(CC3=C(C=CC(=C3)C(=O)OC)[N+](=O)[O-])O

Isomeric SMILES

COC1=NC2=CC=CC=C2C=C1C(CC3=C(C=CC(=C3)C(=O)OC)[N+](=O)[O-])O

InChI

InChI=1S/C20H18N2O6/c1-27-19-15(10-12-5-3-4-6-16(12)21-19)18(23)11-14-9-13(20(24)28-2)7-8-17(14)22(25)26/h3-10,18,23H,11H2,1-2H3