2-oxidanylidenepropyl 6-bromanyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: 2-oxidanylidenepropyl 6-bromanyl-2-phenyl-quinoline-4-carboxylate Openeye Name: acetonyl 6-bromo-2-phenyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-phenyl-4-quinolinecarboxylic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 6-bromo-2-phenylquinoline-4-carboxylate Traditional Name: 6-bromo-2-phenyl-cinchoninic acid acetonyl ester Formula: C19H14BrNO3 MolecularWeight: 384.22336

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)COC(=O)C1=CC(=NC2=C1C=C(C=C2)Br)C3=CC=CC=C3

Isomeric SMILES

CC(=O)COC(=O)C1=CC(=NC2=C1C=C(C=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C19H14BrNO3/c1-12(22)11-24-19(23)16-10-18(13-5-3-2-4-6-13)21-17-8-7-14(20)9-15(16)17/h2-10H,11H2,1H3