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

Systemtic Name: methyl 4-[[3-(3-chlorophenyl)-4-oxidanidyl-2-oxidanylidene-quinoxalin-4-ium-1-yl]oxymethyl]benzoate Openeye Name: methyl 4-[[3-(3-chlorophenyl)-4-oxido-2-oxo-quinoxalin-4-ium-1-yl]oxymethyl]benzoate CAS Name: 4-[[3-(3-chlorophenyl)-4-oxido-2-oxo-1-quinoxalin-4-iumyl]oxymethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(3-chlorophenyl)-4-oxido-2-oxoquinoxalin-4-ium-1-yl]oxymethyl]benzoate Traditional Name: 4-[[3-(3-chlorophenyl)-2-keto-4-oxido-quinoxalin-4-ium-1-yl]oxymethyl]benzoic acid methyl ester Formula: C23H17ClN2O5 MolecularWeight: 436.84448

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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=CC(=CC=C4)Cl)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H17ClN2O5/c1-30-23(28)16-11-9-15(10-12-16)14-31-26-20-8-3-2-7-19(20)25(29)21(22(26)27)17-5-4-6-18(24)13-17/h2-13H,14H2,1H3