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

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

Systemtic Name:methyl 3-[(4-tert-butylphenyl)carbonyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate
Openeye Name:methyl 3-[(4-tert-butylbenzoyl)oxymethyl]-1-oxido-quinoxalin-1-ium-2-carboxylate
CAS Name:3-[[(4-tert-butylphenyl)-oxomethoxy]methyl]-1-oxido-2-quinoxalin-1-iumcarboxylic acid methyl ester
IUPAC Name:methyl 3-[(4-tert-butylbenzoyl)oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate
Traditional Name:3-[(4-tert-butylbenzoyl)oxymethyl]-1-oxido-quinoxalin-1-ium-2-carboxylic acid methyl ester
Formula: C22H22N2O5
MolecularWeight: 394.42048
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C22H22N2O5/c1-22(2,3)15-11-9-14(10-12-15)20(25)29-13-17-19(21(26)28-4)24(27)18-8-6-5-7-16(18)23-17/h5-12H,13H2,1-4H3


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