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

Systemtic Name: methyl 6,7-bis(chloranyl)-3-[(2-ethoxyphenyl)carbonyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 6,7-dichloro-3-[(2-ethoxybenzoyl)oxymethyl]-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 6,7-dichloro-3-[[(2-ethoxyphenyl)-oxomethoxy]methyl]-1-oxido-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 6,7-dichloro-3-[(2-ethoxybenzoyl)oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 6,7-dichloro-3-[(2-ethoxybenzoyl)oxymethyl]-1-oxido-quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C20H16Cl2N2O6 MolecularWeight: 451.25684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)OCC2=NC3=CC(=C(C=C3[N+](=C2C(=O)OC)[O-])Cl)Cl

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)OCC2=NC3=CC(=C(C=C3[N+](=C2C(=O)OC)[O-])Cl)Cl

InChI

InChI=1S/C20H16Cl2N2O6/c1-3-29-17-7-5-4-6-11(17)19(25)30-10-15-18(20(26)28-2)24(27)16-9-13(22)12(21)8-14(16)23-15/h4-9H,3,10H2,1-2H3