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

Systemtic Name: (3-ethanoyl-4-oxidanidyl-quinoxalin-4-ium-2-yl)methyl benzoate Openeye Name: (3-acetyl-4-oxido-quinoxalin-4-ium-2-yl)methyl benzoate CAS Name: benzoic acid (3-acetyl-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-acetyl-4-oxidoquinoxalin-4-ium-2-yl)methyl benzoate Traditional Name: benzoic acid (3-acetyl-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C18H14N2O4 MolecularWeight: 322.31476

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=[N+](C2=CC=CC=C2N=C1COC(=O)C3=CC=CC=C3)[O-]

Isomeric SMILES

CC(=O)C1=[N+](C2=CC=CC=C2N=C1COC(=O)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C18H14N2O4/c1-12(21)17-15(11-24-18(22)13-7-3-2-4-8-13)19-14-9-5-6-10-16(14)20(17)23/h2-10H,11H2,1H3