methyl 2-[[4-oxidanidyl-2-oxidanylidene-3-(4-propoxyphenyl)quinoxalin-4-ium-1-yl]oxymethyl]benzoate

Systemtic Name: methyl 2-[[4-oxidanidyl-2-oxidanylidene-3-(4-propoxyphenyl)quinoxalin-4-ium-1-yl]oxymethyl]benzoate Openeye Name: methyl 2-[[4-oxido-2-oxo-3-(4-propoxyphenyl)quinoxalin-4-ium-1-yl]oxymethyl]benzoate CAS Name: 2-[[4-oxido-2-oxo-3-(4-propoxyphenyl)-1-quinoxalin-4-iumyl]oxymethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-oxido-2-oxo-3-(4-propoxyphenyl)quinoxalin-4-ium-1-yl]oxymethyl]benzoate Traditional Name: 2-[[2-keto-4-oxido-3-(4-propoxyphenyl)quinoxalin-4-ium-1-yl]oxymethyl]benzoic acid methyl ester Formula: C26H24N2O6 MolecularWeight: 460.47856

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N(C2=O)OCC4=CC=CC=C4C(=O)OC)[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N(C2=O)OCC4=CC=CC=C4C(=O)OC)[O-]

InChI

InChI=1S/C26H24N2O6/c1-3-16-33-20-14-12-18(13-15-20)24-25(29)28(23-11-7-6-10-22(23)27(24)31)34-17-19-8-4-5-9-21(19)26(30)32-2/h4-15H,3,16-17H2,1-2H3