(3-ethanoyl-6-ethoxy-4-oxidanidyl-quinoxalin-4-ium-2-yl)methyl 4-ethoxybenzoate

Systemtic Name: (3-ethanoyl-6-ethoxy-4-oxidanidyl-quinoxalin-4-ium-2-yl)methyl 4-ethoxybenzoate Openeye Name: (3-acetyl-6-ethoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic acid (3-acetyl-6-ethoxy-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-acetyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid (3-acetyl-6-ethoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O6/c1-4-28-16-8-6-15(7-9-16)22(26)30-13-19-21(14(3)25)24(27)20-12-17(29-5-2)10-11-18(20)23-19/h6-12H,4-5,13H2,1-3H3