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

Systemtic Name: (3-ethanoyl-6-ethoxy-4-oxidanidyl-quinoxalin-4-ium-2-yl)methyl 3-methoxybenzoate Openeye Name: (3-acetyl-6-ethoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl 3-methoxybenzoate CAS Name: 3-methoxybenzoic 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 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid (3-acetyl-6-ethoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)C)COC(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)C)COC(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C21H20N2O6/c1-4-28-16-8-9-17-19(11-16)23(26)20(13(2)24)18(22-17)12-29-21(25)14-6-5-7-15(10-14)27-3/h5-11H,4,12H2,1-3H3