methyl 2-[[3-(2,5-diethoxyphenyl)-4-oxidanidyl-2-oxidanylidene-quinoxalin-4-ium-1-yl]oxymethyl]benzoate

Systemtic Name: methyl 2-[[3-(2,5-diethoxyphenyl)-4-oxidanidyl-2-oxidanylidene-quinoxalin-4-ium-1-yl]oxymethyl]benzoate Openeye Name: methyl 2-[[3-(2,5-diethoxyphenyl)-4-oxido-2-oxo-quinoxalin-4-ium-1-yl]oxymethyl]benzoate CAS Name: 2-[[3-(2,5-diethoxyphenyl)-4-oxido-2-oxo-1-quinoxalin-4-iumyl]oxymethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[3-(2,5-diethoxyphenyl)-4-oxido-2-oxoquinoxalin-4-ium-1-yl]oxymethyl]benzoate Traditional Name: 2-[[3-(2,5-diethoxyphenyl)-2-keto-4-oxido-quinoxalin-4-ium-1-yl]oxymethyl]benzoic acid methyl ester Formula: C27H26N2O7 MolecularWeight: 490.50454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)C2=[N+](C3=CC=CC=C3N(C2=O)OCC4=CC=CC=C4C(=O)OC)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)C2=[N+](C3=CC=CC=C3N(C2=O)OCC4=CC=CC=C4C(=O)OC)[O-]

InChI

InChI=1S/C27H26N2O7/c1-4-34-19-14-15-24(35-5-2)21(16-19)25-26(30)29(23-13-9-8-12-22(23)28(25)32)36-17-18-10-6-7-11-20(18)27(31)33-3/h6-16H,4-5,17H2,1-3H3