methyl 3-[(4-fluorophenyl)carbonyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate

Systemtic Name: methyl 3-[(4-fluorophenyl)carbonyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 3-[(4-fluorobenzoyl)oxymethyl]-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 3-[[(4-fluorophenyl)-oxomethoxy]methyl]-1-oxido-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-fluorobenzoyl)oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 3-[(4-fluorobenzoyl)oxymethyl]-1-oxido-quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C18H13FN2O5 MolecularWeight: 356.304623

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=[N+](C2=CC=CC=C2N=C1COC(=O)C3=CC=C(C=C3)F)[O-]

Isomeric SMILES

COC(=O)C1=[N+](C2=CC=CC=C2N=C1COC(=O)C3=CC=C(C=C3)F)[O-]

InChI

InChI=1S/C18H13FN2O5/c1-25-18(23)16-14(20-13-4-2-3-5-15(13)21(16)24)10-26-17(22)11-6-8-12(19)9-7-11/h2-9H,10H2,1H3