[4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl 3-methylbutanoate

Systemtic Name: [4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl 3-methylbutanoate Openeye Name: (3-benzoyl-4-oxido-quinoxalin-4-ium-2-yl)methyl 3-methylbutanoate CAS Name: 3-methylbutanoic acid (3-benzoyl-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-benzoyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 3-methylbutanoate Traditional Name: 3-methylbutyric acid (3-benzoyl-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)OCC1=NC2=CC=CC=C2[N+](=C1C(=O)C3=CC=CC=C3)[O-]

Isomeric SMILES

CC(C)CC(=O)OCC1=NC2=CC=CC=C2[N+](=C1C(=O)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C21H20N2O4/c1-14(2)12-19(24)27-13-17-20(21(25)15-8-4-3-5-9-15)23(26)18-11-7-6-10-16(18)22-17/h3-11,14H,12-13H2,1-2H3