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

Systemtic Name: (3-ethanoyl-4-oxidanidyl-quinoxalin-4-ium-2-yl)methyl 3,4,5-triethoxybenzoate Openeye Name: (3-acetyl-4-oxido-quinoxalin-4-ium-2-yl)methyl 3,4,5-triethoxybenzoate CAS Name: 3,4,5-triethoxybenzoic acid (3-acetyl-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-acetyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,4,5-triethoxybenzoate Traditional Name: 3,4,5-triethoxybenzoic acid (3-acetyl-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C24H26N2O7 MolecularWeight: 454.47244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC2=NC3=CC=CC=C3[N+](=C2C(=O)C)[O-]

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC2=NC3=CC=CC=C3[N+](=C2C(=O)C)[O-]

InChI

InChI=1S/C24H26N2O7/c1-5-30-20-12-16(13-21(31-6-2)23(20)32-7-3)24(28)33-14-18-22(15(4)27)26(29)19-11-9-8-10-17(19)25-18/h8-13H,5-7,14H2,1-4H3