ethyl 7-methoxy-3-(2-methylpropanoyloxymethyl)-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate

Systemtic Name: ethyl 7-methoxy-3-(2-methylpropanoyloxymethyl)-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: ethyl 7-methoxy-3-(2-methylpropanoyloxymethyl)-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 7-methoxy-3-[(2-methyl-1-oxopropoxy)methyl]-1-oxido-2-quinoxalin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 7-methoxy-3-(2-methylpropanoyloxymethyl)-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 3-(isobutyryloxymethyl)-7-methoxy-1-oxido-quinoxalin-1-ium-2-carboxylic acid ethyl ester Formula: C17H20N2O6 MolecularWeight: 348.3505

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=[N+](C2=C(C=CC(=C2)OC)N=C1COC(=O)C(C)C)[O-]

Isomeric SMILES

CCOC(=O)C1=[N+](C2=C(C=CC(=C2)OC)N=C1COC(=O)C(C)C)[O-]

InChI

InChI=1S/C17H20N2O6/c1-5-24-17(21)15-13(9-25-16(20)10(2)3)18-12-7-6-11(23-4)8-14(12)19(15)22/h6-8,10H,5,9H2,1-4H3