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

Systemtic Name: (3-ethanoyl-4-oxidanidyl-quinoxalin-4-ium-2-yl)methyl 4-methylbenzoate Openeye Name: (3-acetyl-4-oxido-quinoxalin-4-ium-2-yl)methyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid (3-acetyl-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-acetyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid (3-acetyl-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C19H16N2O4 MolecularWeight: 336.34134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3[N+](=C2C(=O)C)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3[N+](=C2C(=O)C)[O-]

InChI

InChI=1S/C19H16N2O4/c1-12-7-9-14(10-8-12)19(23)25-11-16-18(13(2)22)21(24)17-6-4-3-5-15(17)20-16/h3-10H,11H2,1-2H3