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

Systemtic Name: (3-ethanoyl-6-ethoxy-4-oxidanidyl-quinoxalin-4-ium-2-yl)methyl 4-chloranylbenzoate Openeye Name: (3-acetyl-6-ethoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl 4-chlorobenzoate CAS Name: 4-chlorobenzoic 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-chlorobenzoate Traditional Name: 4-chlorobenzoic acid (3-acetyl-6-ethoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C20H17ClN2O5 MolecularWeight: 400.81238

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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=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN2O5/c1-3-27-15-8-9-16-18(10-15)23(26)19(12(2)24)17(22-16)11-28-20(25)13-4-6-14(21)7-5-13/h4-10H,3,11H2,1-2H3