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

Systemtic Name: methyl 2-[[4-oxidanidyl-2-oxidanylidene-3-(4-phenylphenyl)quinoxalin-4-ium-1-yl]oxymethyl]benzoate Openeye Name: methyl 2-[[4-oxido-2-oxo-3-(4-phenylphenyl)quinoxalin-4-ium-1-yl]oxymethyl]benzoate CAS Name: 2-[[4-oxido-2-oxo-3-(4-phenylphenyl)-1-quinoxalin-4-iumyl]oxymethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-oxido-2-oxo-3-(4-phenylphenyl)quinoxalin-4-ium-1-yl]oxymethyl]benzoate Traditional Name: 2-[[2-keto-4-oxido-3-(4-phenylphenyl)quinoxalin-4-ium-1-yl]oxymethyl]benzoic acid methyl ester Formula: C29H22N2O5 MolecularWeight: 478.49538

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1CON2C3=CC=CC=C3[N+](=C(C2=O)C4=CC=C(C=C4)C5=CC=CC=C5)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1CON2C3=CC=CC=C3[N+](=C(C2=O)C4=CC=C(C=C4)C5=CC=CC=C5)[O-]

InChI

InChI=1S/C29H22N2O5/c1-35-29(33)24-12-6-5-11-23(24)19-36-31-26-14-8-7-13-25(26)30(34)27(28(31)32)22-17-15-21(16-18-22)20-9-3-2-4-10-20/h2-18H,19H2,1H3