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

Systemtic Name: (3-ethanoyl-6-methoxy-4-oxidanidyl-quinoxalin-4-ium-2-yl)methyl 3-methylbutanoate Openeye Name: (3-acetyl-6-methoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl 3-methylbutanoate CAS Name: 3-methylbutanoic 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 3-methylbutanoate Traditional Name: 3-methylbutyric acid (3-acetyl-6-methoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C17H20N2O5 MolecularWeight: 332.3511

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O5/c1-10(2)7-16(21)24-9-14-17(11(3)20)19(22)15-8-12(23-4)5-6-13(15)18-14/h5-6,8,10H,7,9H2,1-4H3