ethyl 6-[(5-bromanylpyridin-3-yl)carbonylamino]-1-ethyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 6-[(5-bromanylpyridin-3-yl)carbonylamino]-1-ethyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 6-[(5-bromopyridine-3-carbonyl)amino]-1-ethyl-4-oxo-quinoline-3-carboxylate CAS Name: 6-[[(5-bromo-3-pyridinyl)-oxomethyl]amino]-1-ethyl-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[(5-bromopyridine-3-carbonyl)amino]-1-ethyl-4-oxoquinoline-3-carboxylate Traditional Name: 6-[(5-bromonicotinoyl)amino]-1-ethyl-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C20H18BrN3O4 MolecularWeight: 444.27862

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C=CC(=C2)NC(=O)C3=CC(=CN=C3)Br)C(=O)OCC

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=CC(=C2)NC(=O)C3=CC(=CN=C3)Br)C(=O)OCC

InChI

InChI=1S/C20H18BrN3O4/c1-3-24-11-16(20(27)28-4-2)18(25)15-8-14(5-6-17(15)24)23-19(26)12-7-13(21)10-22-9-12/h5-11H,3-4H2,1-2H3,(H,23,26)