(3-ethanoyl-6-methoxy-4-oxidanidyl-quinoxalin-4-ium-2-yl)methyl 2-methylpropanoate

Systemtic Name: (3-ethanoyl-6-methoxy-4-oxidanidyl-quinoxalin-4-ium-2-yl)methyl 2-methylpropanoate Openeye Name: (3-acetyl-6-methoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl 2-methylpropanoate CAS Name: 2-methylpropanoic acid (3-acetyl-6-methoxy-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 2-methylpropanoate Traditional Name: 2-methylpropionic acid (3-acetyl-6-methoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C16H18N2O5 MolecularWeight: 318.32452

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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)C)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O5/c1-9(2)16(20)23-8-13-15(10(3)19)18(21)14-7-11(22-4)5-6-12(14)17-13/h5-7,9H,8H2,1-4H3