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

Systemtic Name: (3-ethanoyl-6-ethoxy-4-oxidanidyl-quinoxalin-4-ium-2-yl)methyl 2-methylpropanoate Openeye Name: (3-acetyl-6-ethoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl 2-methylpropanoate CAS Name: 2-methylpropanoic 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 2-methylpropanoate Traditional Name: 2-methylpropionic acid (3-acetyl-6-ethoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C17H20N2O5 MolecularWeight: 332.3511

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)C)COC(=O)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O5/c1-5-23-12-6-7-13-15(8-12)19(22)16(11(4)20)14(18-13)9-24-17(21)10(2)3/h6-8,10H,5,9H2,1-4H3