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

Systemtic Name: methyl 4-[[3-(1-benzofuran-2-yl)-4-oxidanidyl-2-oxidanylidene-quinoxalin-4-ium-1-yl]oxymethyl]benzoate Openeye Name: methyl 4-[[3-(benzofuran-2-yl)-4-oxido-2-oxo-quinoxalin-4-ium-1-yl]oxymethyl]benzoate CAS Name: 4-[[3-(2-benzofuranyl)-4-oxido-2-oxo-1-quinoxalin-4-iumyl]oxymethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(1-benzofuran-2-yl)-4-oxido-2-oxoquinoxalin-4-ium-1-yl]oxymethyl]benzoate Traditional Name: 4-[[3-(benzofuran-2-yl)-2-keto-4-oxido-quinoxalin-4-ium-1-yl]oxymethyl]benzoic acid methyl ester Formula: C25H18N2O6 MolecularWeight: 442.42022

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CON2C3=CC=CC=C3[N+](=C(C2=O)C4=CC5=CC=CC=C5O4)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CON2C3=CC=CC=C3[N+](=C(C2=O)C4=CC5=CC=CC=C5O4)[O-]

InChI

InChI=1S/C25H18N2O6/c1-31-25(29)17-12-10-16(11-13-17)15-32-27-20-8-4-3-7-19(20)26(30)23(24(27)28)22-14-18-6-2-5-9-21(18)33-22/h2-14H,15H2,1H3