[6,7-bis(chloranyl)-3-ethanoyl-4-oxidanidyl-quinoxalin-4-ium-2-yl]methyl 3-methylbutanoate

Systemtic Name: [6,7-bis(chloranyl)-3-ethanoyl-4-oxidanidyl-quinoxalin-4-ium-2-yl]methyl 3-methylbutanoate Openeye Name: (3-acetyl-6,7-dichloro-4-oxido-quinoxalin-4-ium-2-yl)methyl 3-methylbutanoate CAS Name: 3-methylbutanoic acid (3-acetyl-6,7-dichloro-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-acetyl-6,7-dichloro-4-oxidoquinoxalin-4-ium-2-yl)methyl 3-methylbutanoate Traditional Name: 3-methylbutyric acid (3-acetyl-6,7-dichloro-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C16H16Cl2N2O4 MolecularWeight: 371.21524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16Cl2N2O4/c1-8(2)4-15(22)24-7-13-16(9(3)21)20(23)14-6-11(18)10(17)5-12(14)19-13/h5-6,8H,4,7H2,1-3H3