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

Systemtic Name: [6,7-bis(chloranyl)-3-ethanoyl-4-oxidanidyl-quinoxalin-4-ium-2-yl]methyl propanoate Openeye Name: (3-acetyl-6,7-dichloro-4-oxido-quinoxalin-4-ium-2-yl)methyl propanoate CAS Name: propanoic 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 propanoate Traditional Name: propionic acid (3-acetyl-6,7-dichloro-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C14H12Cl2N2O4 MolecularWeight: 343.16208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12Cl2N2O4/c1-3-13(20)22-6-11-14(7(2)19)18(21)12-5-9(16)8(15)4-10(12)17-11/h4-5H,3,6H2,1-2H3