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

Systemtic Name: ethyl 2-[3-(4-decoxyphenyl)-4-oxidanidyl-2-oxidanylidene-quinoxalin-4-ium-1-yl]oxyethanoate Openeye Name: ethyl 2-[3-(4-decoxyphenyl)-4-oxido-2-oxo-quinoxalin-4-ium-1-yl]oxyacetate CAS Name: 2-[[3-(4-decoxyphenyl)-4-oxido-2-oxo-1-quinoxalin-4-iumyl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-decoxyphenyl)-4-oxido-2-oxoquinoxalin-4-ium-1-yl]oxyacetate Traditional Name: 2-[3-(4-decoxyphenyl)-2-keto-4-oxido-quinoxalin-4-ium-1-yl]oxyacetic acid ethyl ester Formula: C28H36N2O6 MolecularWeight: 496.59524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N(C2=O)OCC(=O)OCC)[O-]

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N(C2=O)OCC(=O)OCC)[O-]

InChI

InChI=1S/C28H36N2O6/c1-3-5-6-7-8-9-10-13-20-35-23-18-16-22(17-19-23)27-28(32)30(36-21-26(31)34-4-2)25-15-12-11-14-24(25)29(27)33/h11-12,14-19H,3-10,13,20-21H2,1-2H3