ethyl 8-bromanyl-3-butyl-4-oxidanylidene-1H-quinoline-2-carboxylate

Systemtic Name: ethyl 8-bromanyl-3-butyl-4-oxidanylidene-1H-quinoline-2-carboxylate Openeye Name: ethyl 8-bromo-3-butyl-4-oxo-1H-quinoline-2-carboxylate CAS Name: 8-bromo-3-butyl-4-oxo-1H-quinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 8-bromo-3-butyl-4-oxo-1H-quinoline-2-carboxylate Traditional Name: 8-bromo-3-butyl-4-keto-1H-quinoline-2-carboxylic acid ethyl ester Formula: C16H18BrNO3 MolecularWeight: 352.22302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(NC2=C(C1=O)C=CC=C2Br)C(=O)OCC

Isomeric SMILES

CCCCC1=C(NC2=C(C1=O)C=CC=C2Br)C(=O)OCC

InChI

InChI=1S/C16H18BrNO3/c1-3-5-7-11-14(16(20)21-4-2)18-13-10(15(11)19)8-6-9-12(13)17/h6,8-9H,3-5,7H2,1-2H3,(H,18,19)