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

Systemtic Name: [6-methoxy-4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl 2-methylpropanoate Openeye Name: (3-benzoyl-6-methoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl 2-methylpropanoate CAS Name: 2-methylpropanoic 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-methylpropanoate Traditional Name: 2-methylpropionic acid (3-benzoyl-6-methoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O5/c1-13(2)21(25)28-12-17-19(20(24)14-7-5-4-6-8-14)23(26)18-11-15(27-3)9-10-16(18)22-17/h4-11,13H,12H2,1-3H3