ethyl 2-[4-oxidanidyl-2-oxidanylidene-3-(4-propoxyphenyl)quinoxalin-4-ium-1-yl]oxyethanoate

Systemtic Name: ethyl 2-[4-oxidanidyl-2-oxidanylidene-3-(4-propoxyphenyl)quinoxalin-4-ium-1-yl]oxyethanoate Openeye Name: ethyl 2-[4-oxido-2-oxo-3-(4-propoxyphenyl)quinoxalin-4-ium-1-yl]oxyacetate CAS Name: 2-[[4-oxido-2-oxo-3-(4-propoxyphenyl)-1-quinoxalin-4-iumyl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-oxido-2-oxo-3-(4-propoxyphenyl)quinoxalin-4-ium-1-yl]oxyacetate Traditional Name: 2-[2-keto-4-oxido-3-(4-propoxyphenyl)quinoxalin-4-ium-1-yl]oxyacetic acid ethyl ester Formula: C21H22N2O6 MolecularWeight: 398.40918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N(C2=O)OCC(=O)OCC)[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N(C2=O)OCC(=O)OCC)[O-]

InChI

InChI=1S/C21H22N2O6/c1-3-13-28-16-11-9-15(10-12-16)20-21(25)23(29-14-19(24)27-4-2)18-8-6-5-7-17(18)22(20)26/h5-12H,3-4,13-14H2,1-2H3