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

Systemtic Name: (3-ethanoyl-6-ethoxy-4-oxidanidyl-quinoxalin-4-ium-2-yl)methyl 2-phenoxyethanoate Openeye Name: (3-acetyl-6-ethoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl 2-phenoxyacetate CAS Name: 2-phenoxyacetic 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 2-phenoxyacetate Traditional Name: 2-phenoxyacetic 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)COC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)C)COC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O6/c1-3-27-16-9-10-17-19(11-16)23(26)21(14(2)24)18(22-17)12-29-20(25)13-28-15-7-5-4-6-8-15/h4-11H,3,12-13H2,1-2H3