(2-bromanyl-4,5-diethoxy-phenyl)methyl 2-oxidanylidene-1H-quinoline-4-carboxylate

Systemtic Name: (2-bromanyl-4,5-diethoxy-phenyl)methyl 2-oxidanylidene-1H-quinoline-4-carboxylate Openeye Name: (2-bromo-4,5-diethoxy-phenyl)methyl 2-oxo-1H-quinoline-4-carboxylate CAS Name: 2-oxo-1H-quinoline-4-carboxylic acid (2-bromo-4,5-diethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-diethoxyphenyl)methyl 2-oxo-1H-quinoline-4-carboxylate Traditional Name: 2-keto-1H-quinoline-4-carboxylic acid (2-bromo-4,5-diethoxy-benzyl) ester Formula: C21H20BrNO5 MolecularWeight: 446.2912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)COC(=O)C2=CC(=O)NC3=CC=CC=C32)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)COC(=O)C2=CC(=O)NC3=CC=CC=C32)Br)OCC

InChI

InChI=1S/C21H20BrNO5/c1-3-26-18-9-13(16(22)11-19(18)27-4-2)12-28-21(25)15-10-20(24)23-17-8-6-5-7-14(15)17/h5-11H,3-4,12H2,1-2H3,(H,23,24)