[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 3-(3-oxidanylidene-4H-quinoxalin-2-yl)propanoate

Systemtic Name: [2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 3-(3-oxidanylidene-4H-quinoxalin-2-yl)propanoate Openeye Name: [2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl] 3-(3-oxo-4H-quinoxalin-2-yl)propanoate CAS Name: 3-(3-oxo-4H-quinoxalin-2-yl)propanoic acid [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 3-(3-oxo-4H-quinoxalin-2-yl)propanoate Traditional Name: 3-(3-keto-4H-quinoxalin-2-yl)propionic acid [2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C20H17BrN2O5 MolecularWeight: 445.26338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)CCC2=NC3=CC=CC=C3NC2=O)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)CCC2=NC3=CC=CC=C3NC2=O)Br

InChI

InChI=1S/C20H17BrN2O5/c1-27-18-8-6-12(10-13(18)21)17(24)11-28-19(25)9-7-16-20(26)23-15-5-3-2-4-14(15)22-16/h2-6,8,10H,7,9,11H2,1H3,(H,23,26)