[6-ethoxy-4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl oxolane-2-carboxylate

Systemtic Name: [6-ethoxy-4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl oxolane-2-carboxylate Openeye Name: (3-benzoyl-6-ethoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl tetrahydrofuran-2-carboxylate CAS Name: 2-oxolanecarboxylic acid (3-benzoyl-6-ethoxy-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-benzoyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl oxolane-2-carboxylate Traditional Name: tetrahydrofuran-2-carboxylic acid (3-benzoyl-6-ethoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C23H22N2O6 MolecularWeight: 422.43058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)C3=CC=CC=C3)COC(=O)C4CCCO4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)C3=CC=CC=C3)COC(=O)C4CCCO4

InChI

InChI=1S/C23H22N2O6/c1-2-29-16-10-11-17-19(13-16)25(28)21(22(26)15-7-4-3-5-8-15)18(24-17)14-31-23(27)20-9-6-12-30-20/h3-5,7-8,10-11,13,20H,2,6,9,12,14H2,1H3