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

Systemtic Name: methyl 3-[(2-ethoxyphenyl)carbonyloxymethyl]-7-methoxy-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H20N2O7 MolecularWeight: 412.3927

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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)OC)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O7/c1-4-29-18-8-6-5-7-14(18)20(24)30-12-16-19(21(25)28-3)23(26)17-11-13(27-2)9-10-15(17)22-16/h5-11H,4,12H2,1-3H3