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

Systemtic Name: [6,7-bis(chloranyl)-3-ethanoyl-4-oxidanidyl-quinoxalin-4-ium-2-yl]methyl 4-ethoxybenzoate Openeye Name: (3-acetyl-6,7-dichloro-4-oxido-quinoxalin-4-ium-2-yl)methyl 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic 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 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid (3-acetyl-6,7-dichloro-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C20H16Cl2N2O5 MolecularWeight: 435.25744

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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)C)[O-])Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H16Cl2N2O5/c1-3-28-13-6-4-12(5-7-13)20(26)29-10-17-19(11(2)25)24(27)18-9-15(22)14(21)8-16(18)23-17/h4-9H,3,10H2,1-2H3