ethyl 3-[(2-ethoxyphenyl)carbonyloxymethyl]-7-methoxy-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate

Systemtic Name: ethyl 3-[(2-ethoxyphenyl)carbonyloxymethyl]-7-methoxy-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: ethyl 3-[(2-ethoxybenzoyl)oxymethyl]-7-methoxy-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 3-[[(2-ethoxyphenyl)-oxomethoxy]methyl]-7-methoxy-1-oxido-2-quinoxalin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-ethoxybenzoyl)oxymethyl]-7-methoxy-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 3-[(2-ethoxybenzoyl)oxymethyl]-7-methoxy-1-oxido-quinoxalin-1-ium-2-carboxylic acid ethyl ester Formula: C22H22N2O7 MolecularWeight: 426.41928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O7/c1-4-29-19-9-7-6-8-15(19)21(25)31-13-17-20(22(26)30-5-2)24(27)18-12-14(28-3)10-11-16(18)23-17/h6-12H,4-5,13H2,1-3H3