methyl 4-[(E)-2-(5-ethanoyl-8-oxidanyl-quinolin-2-yl)ethenyl]-3-nitro-benzoate

Systemtic Name: methyl 4-[(E)-2-(5-ethanoyl-8-oxidanyl-quinolin-2-yl)ethenyl]-3-nitro-benzoate Openeye Name: methyl 4-[(E)-2-(5-acetyl-8-hydroxy-2-quinolyl)vinyl]-3-nitro-benzoate CAS Name: 4-[(E)-2-(5-acetyl-8-hydroxy-2-quinolinyl)ethenyl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-(5-acetyl-8-hydroxyquinolin-2-yl)ethenyl]-3-nitrobenzoate Traditional Name: 4-[(E)-2-(5-acetyl-8-hydroxy-2-quinolyl)vinyl]-3-nitro-benzoic acid methyl ester Formula: C21H16N2O6 MolecularWeight: 392.36154

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C2C=CC(=NC2=C(C=C1)O)C=CC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=C2C=CC(=NC2=C(C=C1)O)/C=C/C3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H16N2O6/c1-12(24)16-9-10-19(25)20-17(16)8-7-15(22-20)6-5-13-3-4-14(21(26)29-2)11-18(13)23(27)28/h3-11,25H,1-2H3/b6-5+