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

Systemtic Name: ethyl 3-[(4-tert-butylphenyl)carbonyloxymethyl]-7-methoxy-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C24H26N2O6 MolecularWeight: 438.47304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=[N+](C2=C(C=CC(=C2)OC)N=C1COC(=O)C3=CC=C(C=C3)C(C)(C)C)[O-]

Isomeric SMILES

CCOC(=O)C1=[N+](C2=C(C=CC(=C2)OC)N=C1COC(=O)C3=CC=C(C=C3)C(C)(C)C)[O-]

InChI

InChI=1S/C24H26N2O6/c1-6-31-23(28)21-19(25-18-12-11-17(30-5)13-20(18)26(21)29)14-32-22(27)15-7-9-16(10-8-15)24(2,3)4/h7-13H,6,14H2,1-5H3