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

Systemtic Name: methyl 3-[(4-chlorophenyl)carbonyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 3-[(4-chlorobenzoyl)oxymethyl]-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 3-[[(4-chlorophenyl)-oxomethoxy]methyl]-1-oxido-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-chlorobenzoyl)oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 3-[(4-chlorobenzoyl)oxymethyl]-1-oxido-quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C18H13ClN2O5 MolecularWeight: 372.75922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClN2O5/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