ethyl 3-bromanyl-4-[3-(3-oxidanylidene-4H-quinoxalin-2-yl)propanoyloxymethyl]benzoate

Systemtic Name: ethyl 3-bromanyl-4-[3-(3-oxidanylidene-4H-quinoxalin-2-yl)propanoyloxymethyl]benzoate Openeye Name: ethyl 3-bromo-4-[3-(3-oxo-4H-quinoxalin-2-yl)propanoyloxymethyl]benzoate CAS Name: 3-bromo-4-[[1-oxo-3-(3-oxo-4H-quinoxalin-2-yl)propoxy]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-[3-(3-oxo-4H-quinoxalin-2-yl)propanoyloxymethyl]benzoate Traditional Name: 3-bromo-4-[3-(3-keto-4H-quinoxalin-2-yl)propanoyloxymethyl]benzoic acid ethyl ester Formula: C21H19BrN2O5 MolecularWeight: 459.28996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)COC(=O)CCC2=NC3=CC=CC=C3NC2=O)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)COC(=O)CCC2=NC3=CC=CC=C3NC2=O)Br

InChI

InChI=1S/C21H19BrN2O5/c1-2-28-21(27)13-7-8-14(15(22)11-13)12-29-19(25)10-9-18-20(26)24-17-6-4-3-5-16(17)23-18/h3-8,11H,2,9-10,12H2,1H3,(H,24,26)