[2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-keto-2-(3-keto-2,2-dimethyl-4H-quinoxalin-1-yl)ethyl] ester Formula: C18H16BrN3O4 MolecularWeight: 418.24134

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C3=CC(=CN=C3)Br)C

Isomeric SMILES

CC1(C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C3=CC(=CN=C3)Br)C

InChI

InChI=1S/C18H16BrN3O4/c1-18(2)17(25)21-13-5-3-4-6-14(13)22(18)15(23)10-26-16(24)11-7-12(19)9-20-8-11/h3-9H,10H2,1-2H3,(H,21,25)