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

Systemtic Name: [6,7-bis(chloranyl)-3-ethanoyl-4-oxidanidyl-quinoxalin-4-ium-2-yl]methyl butanoate Openeye Name: (3-acetyl-6,7-dichloro-4-oxido-quinoxalin-4-ium-2-yl)methyl butanoate CAS Name: butanoic 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 butanoate Traditional Name: butyric acid (3-acetyl-6,7-dichloro-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C15H14Cl2N2O4 MolecularWeight: 357.18866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14Cl2N2O4/c1-3-4-14(21)23-7-12-15(8(2)20)19(22)13-6-10(17)9(16)5-11(13)18-12/h5-6H,3-4,7H2,1-2H3