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

Systemtic Name: (3-ethanoyl-4-oxidanidyl-quinoxalin-4-ium-2-yl)methyl propanoate Openeye Name: (3-acetyl-4-oxido-quinoxalin-4-ium-2-yl)methyl propanoate CAS Name: propanoic acid (3-acetyl-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-acetyl-4-oxidoquinoxalin-4-ium-2-yl)methyl propanoate Traditional Name: propionic acid (3-acetyl-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C14H14N2O4 MolecularWeight: 274.27196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O4/c1-3-13(18)20-8-11-14(9(2)17)16(19)12-7-5-4-6-10(12)15-11/h4-7H,3,8H2,1-2H3