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

Systemtic Name: [6,7-bis(chloranyl)-3-ethanoyl-4-oxidanidyl-quinoxalin-4-ium-2-yl]methyl pentanoate Openeye Name: (3-acetyl-6,7-dichloro-4-oxido-quinoxalin-4-ium-2-yl)methyl pentanoate CAS Name: pentanoic 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 pentanoate Traditional Name: valeric acid (3-acetyl-6,7-dichloro-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C16H16Cl2N2O4 MolecularWeight: 371.21524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16Cl2N2O4/c1-3-4-5-15(22)24-8-13-16(9(2)21)20(23)14-7-11(18)10(17)6-12(14)19-13/h6-7H,3-5,8H2,1-2H3