methyl 6,7-bis(chloranyl)-3-[(4-fluorophenyl)carbonyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate

Systemtic Name: methyl 6,7-bis(chloranyl)-3-[(4-fluorophenyl)carbonyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 6,7-dichloro-3-[(4-fluorobenzoyl)oxymethyl]-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 6,7-dichloro-3-[[(4-fluorophenyl)-oxomethoxy]methyl]-1-oxido-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 6,7-dichloro-3-[(4-fluorobenzoyl)oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 6,7-dichloro-3-[(4-fluorobenzoyl)oxymethyl]-1-oxido-quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C18H11Cl2FN2O5 MolecularWeight: 425.194743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H11Cl2FN2O5/c1-27-18(25)16-14(8-28-17(24)9-2-4-10(21)5-3-9)22-13-6-11(19)12(20)7-15(13)23(16)26/h2-7H,8H2,1H3