(3-ethanoyl-6-ethoxy-4-oxidanidyl-quinoxalin-4-ium-2-yl)methyl 3,4,5-triethoxybenzoate

Systemtic Name: (3-ethanoyl-6-ethoxy-4-oxidanidyl-quinoxalin-4-ium-2-yl)methyl 3,4,5-triethoxybenzoate Openeye Name: (3-acetyl-6-ethoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl 3,4,5-triethoxybenzoate CAS Name: 3,4,5-triethoxybenzoic 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 3,4,5-triethoxybenzoate Traditional Name: 3,4,5-triethoxybenzoic acid (3-acetyl-6-ethoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C26H30N2O8 MolecularWeight: 498.525

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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)OCC)OCC)OCC

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O8/c1-6-32-18-10-11-19-21(14-18)28(31)24(16(5)29)20(27-19)15-36-26(30)17-12-22(33-7-2)25(35-9-4)23(13-17)34-8-3/h10-14H,6-9,15H2,1-5H3