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

Systemtic Name: [6,7-bis(chloranyl)-4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl propanoate Openeye Name: (3-benzoyl-6,7-dichloro-4-oxido-quinoxalin-4-ium-2-yl)methyl propanoate CAS Name: propanoic 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 propanoate Traditional Name: propionic acid (3-benzoyl-6,7-dichloro-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C19H14Cl2N2O4 MolecularWeight: 405.23146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14Cl2N2O4/c1-2-17(24)27-10-15-18(19(25)11-6-4-3-5-7-11)23(26)16-9-13(21)12(20)8-14(16)22-15/h3-9H,2,10H2,1H3