[3-(3-methylbutanoyloxymethyl)-1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl]methyl 3-methylbutanoate

Systemtic Name: [3-(3-methylbutanoyloxymethyl)-1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl]methyl 3-methylbutanoate Openeye Name: [3-(3-methylbutanoyloxymethyl)-1-oxido-4-oxo-quinoxalin-4-ium-2-yl]methyl 3-methylbutanoate CAS Name: 3-methylbutanoic acid [3-[(3-methyl-1-oxobutoxy)methyl]-1-oxido-4-oxo-2-quinoxalin-4-iumyl]methyl ester IUPAC Name: [3-(3-methylbutanoyloxymethyl)-1-oxido-4-oxoquinoxalin-4-ium-2-yl]methyl 3-methylbutanoate Traditional Name: 3-methylbutyric acid [3-(isovaleryloxymethyl)-4-keto-1-oxido-quinoxalin-4-ium-2-yl]methyl ester Formula: C20H26N2O6 MolecularWeight: 390.43024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O6/c1-13(2)9-19(23)27-11-17-18(12-28-20(24)10-14(3)4)22(26)16-8-6-5-7-15(16)21(17)25/h5-8,13-14H,9-12H2,1-4H3