3-(3,4-dimethoxyphenyl)-1-(furan-2-ylmethoxy)-4-oxidanidyl-quinoxalin-4-ium-2-one

Systemtic Name: 3-(3,4-dimethoxyphenyl)-1-(furan-2-ylmethoxy)-4-oxidanidyl-quinoxalin-4-ium-2-one Openeye Name: 3-(3,4-dimethoxyphenyl)-1-(2-furylmethoxy)-4-oxido-quinoxalin-4-ium-2-one CAS Name: 3-(3,4-dimethoxyphenyl)-1-(2-furanylmethoxy)-4-oxido-2-quinoxalin-4-iumone IUPAC Name: 3-(3,4-dimethoxyphenyl)-1-(furan-2-ylmethoxy)-4-oxidoquinoxalin-4-ium-2-one Traditional Name: 3-(3,4-dimethoxyphenyl)-1-(2-furfuryloxy)-4-oxido-quinoxalin-4-ium-2-one Formula: C21H18N2O6 MolecularWeight: 394.37742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=[N+](C3=CC=CC=C3N(C2=O)OCC4=CC=CO4)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=[N+](C3=CC=CC=C3N(C2=O)OCC4=CC=CO4)[O-])OC

InChI

InChI=1S/C21H18N2O6/c1-26-18-10-9-14(12-19(18)27-2)20-21(24)23(29-13-15-6-5-11-28-15)17-8-4-3-7-16(17)22(20)25/h3-12H,13H2,1-2H3