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

Systemtic Name: [6-methoxy-4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl 2,2-dimethylpropanoate Openeye Name: (3-benzoyl-6-methoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid (3-benzoyl-6-methoxy-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-benzoyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid (3-benzoyl-6-methoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C22H22N2O5 MolecularWeight: 394.42048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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