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

Systemtic Name: (3-ethanoyl-4-oxidanidyl-quinoxalin-4-ium-2-yl)methyl 3-methylbutanoate Openeye Name: (3-acetyl-4-oxido-quinoxalin-4-ium-2-yl)methyl 3-methylbutanoate CAS Name: 3-methylbutanoic acid (3-acetyl-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-acetyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 3-methylbutanoate Traditional Name: 3-methylbutyric acid (3-acetyl-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O4/c1-10(2)8-15(20)22-9-13-16(11(3)19)18(21)14-7-5-4-6-12(14)17-13/h4-7,10H,8-9H2,1-3H3