methyl 2-[(5-bromanyl-2-oxidanylidene-pyridin-1-yl)methyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[(5-bromanyl-2-oxidanylidene-pyridin-1-yl)methyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[(5-bromo-2-oxo-1-pyridyl)methyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[(5-bromo-2-oxo-1-pyridinyl)methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(5-bromo-2-oxopyridin-1-yl)methyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[(5-bromo-2-keto-1-pyridyl)methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C18H15BrN2O3 MolecularWeight: 387.2273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CN3C=C(C=CC3=O)Br)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CN3C=C(C=CC3=O)Br)C(=O)OC

InChI

InChI=1S/C18H15BrN2O3/c1-11-13-5-3-4-6-14(13)20-15(17(11)18(23)24-2)10-21-9-12(19)7-8-16(21)22/h3-9H,10H2,1-2H3