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

Systemtic Name: ethyl 2-[3-(4-ethoxyphenyl)-4-oxidanidyl-2-oxidanylidene-quinoxalin-4-ium-1-yl]oxyethanoate Openeye Name: ethyl 2-[3-(4-ethoxyphenyl)-4-oxido-2-oxo-quinoxalin-4-ium-1-yl]oxyacetate CAS Name: 2-[[3-(4-ethoxyphenyl)-4-oxido-2-oxo-1-quinoxalin-4-iumyl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-ethoxyphenyl)-4-oxido-2-oxoquinoxalin-4-ium-1-yl]oxyacetate Traditional Name: 2-(2-keto-4-oxido-3-p-phenetyl-quinoxalin-4-ium-1-yl)oxyacetic acid ethyl ester Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N(C2=O)OCC(=O)OCC)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N(C2=O)OCC(=O)OCC)[O-]

InChI

InChI=1S/C20H20N2O6/c1-3-26-15-11-9-14(10-12-15)19-20(24)22(28-13-18(23)27-4-2)17-8-6-5-7-16(17)21(19)25/h5-12H,3-4,13H2,1-2H3