[4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl 2,2-dimethylpropanoate Openeye Name: (3-benzoyl-4-oxido-quinoxalin-4-ium-2-yl)methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid (3-benzoyl-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-benzoyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid (3-benzoyl-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCC1=NC2=CC=CC=C2[N+](=C1C(=O)C3=CC=CC=C3)[O-]

Isomeric SMILES

CC(C)(C)C(=O)OCC1=NC2=CC=CC=C2[N+](=C1C(=O)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C21H20N2O4/c1-21(2,3)20(25)27-13-16-18(19(24)14-9-5-4-6-10-14)23(26)17-12-8-7-11-15(17)22-16/h4-12H,13H2,1-3H3