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

Systemtic Name: [6,7-bis(chloranyl)-4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl pentanoate Openeye Name: (3-benzoyl-6,7-dichloro-4-oxido-quinoxalin-4-ium-2-yl)methyl pentanoate CAS Name: pentanoic acid (3-benzoyl-6,7-dichloro-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-benzoyl-6,7-dichloro-4-oxidoquinoxalin-4-ium-2-yl)methyl pentanoate Traditional Name: valeric acid (3-benzoyl-6,7-dichloro-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C21H18Cl2N2O4 MolecularWeight: 433.28462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OCC1=NC2=CC(=C(C=C2[N+](=C1C(=O)C3=CC=CC=C3)[O-])Cl)Cl

Isomeric SMILES

CCCCC(=O)OCC1=NC2=CC(=C(C=C2[N+](=C1C(=O)C3=CC=CC=C3)[O-])Cl)Cl

InChI

InChI=1S/C21H18Cl2N2O4/c1-2-3-9-19(26)29-12-17-20(21(27)13-7-5-4-6-8-13)25(28)18-11-15(23)14(22)10-16(18)24-17/h4-8,10-11H,2-3,9,12H2,1H3