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

Systemtic Name: ethyl 3-[(4-tert-butylphenyl)carbonyloxymethyl]-7-ethoxy-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: ethyl 3-[(4-tert-butylbenzoyl)oxymethyl]-7-ethoxy-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 3-[[(4-tert-butylphenyl)-oxomethoxy]methyl]-7-ethoxy-1-oxido-2-quinoxalin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-tert-butylbenzoyl)oxymethyl]-7-ethoxy-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 3-[(4-tert-butylbenzoyl)oxymethyl]-7-ethoxy-1-oxido-quinoxalin-1-ium-2-carboxylic acid ethyl ester Formula: C25H28N2O6 MolecularWeight: 452.49962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)OCC)COC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)OCC)COC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C25H28N2O6/c1-6-31-18-12-13-19-21(14-18)27(30)22(24(29)32-7-2)20(26-19)15-33-23(28)16-8-10-17(11-9-16)25(3,4)5/h8-14H,6-7,15H2,1-5H3