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

Systemtic Name: (3-ethanoyl-6-ethoxy-4-oxidanidyl-quinoxalin-4-ium-2-yl)methyl 2,2-dimethylpropanoate Openeye Name: (3-acetyl-6-ethoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic 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 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid (3-acetyl-6-ethoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C18H22N2O5 MolecularWeight: 346.37768

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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)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O5/c1-6-24-12-7-8-13-15(9-12)20(23)16(11(2)21)14(19-13)10-25-17(22)18(3,4)5/h7-9H,6,10H2,1-5H3