methyl 3-[(4-tert-butylphenyl)carbonyloxymethyl]-7-methoxy-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate

Systemtic Name: methyl 3-[(4-tert-butylphenyl)carbonyloxymethyl]-7-methoxy-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 3-[(4-tert-butylbenzoyl)oxymethyl]-7-methoxy-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 3-[[(4-tert-butylphenyl)-oxomethoxy]methyl]-7-methoxy-1-oxido-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-tert-butylbenzoyl)oxymethyl]-7-methoxy-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 3-[(4-tert-butylbenzoyl)oxymethyl]-7-methoxy-1-oxido-quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C23H24N2O6 MolecularWeight: 424.44646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OCC2=NC3=C(C=C(C=C3)OC)[N+](=C2C(=O)OC)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OCC2=NC3=C(C=C(C=C3)OC)[N+](=C2C(=O)OC)[O-]

InChI

InChI=1S/C23H24N2O6/c1-23(2,3)15-8-6-14(7-9-15)21(26)31-13-18-20(22(27)30-5)25(28)19-12-16(29-4)10-11-17(19)24-18/h6-12H,13H2,1-5H3