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

Systemtic Name: [6,7-bis(chloranyl)-4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl 4-ethoxybenzoate Openeye Name: (3-benzoyl-6,7-dichloro-4-oxido-quinoxalin-4-ium-2-yl)methyl 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic 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 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid (3-benzoyl-6,7-dichloro-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C25H18Cl2N2O5 MolecularWeight: 497.32682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)OCC2=NC3=CC(=C(C=C3[N+](=C2C(=O)C4=CC=CC=C4)[O-])Cl)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)OCC2=NC3=CC(=C(C=C3[N+](=C2C(=O)C4=CC=CC=C4)[O-])Cl)Cl

InChI

InChI=1S/C25H18Cl2N2O5/c1-2-33-17-10-8-16(9-11-17)25(31)34-14-21-23(24(30)15-6-4-3-5-7-15)29(32)22-13-19(27)18(26)12-20(22)28-21/h3-13H,2,14H2,1H3