(3-ethanoyl-1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl)methyl pentanoate

Systemtic Name: (3-ethanoyl-1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl)methyl pentanoate Openeye Name: (3-acetyl-1-oxido-4-oxo-quinoxalin-4-ium-2-yl)methyl pentanoate CAS Name: pentanoic acid (3-acetyl-1-oxido-4-oxo-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-acetyl-1-oxido-4-oxoquinoxalin-4-ium-2-yl)methyl pentanoate Traditional Name: valeric acid (3-acetyl-4-keto-1-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OCC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)C

Isomeric SMILES

CCCCC(=O)OCC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)C

InChI

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