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

Systemtic Name: [6-ethoxy-4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl 2-methylpropanoate Openeye Name: (3-benzoyl-6-ethoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl 2-methylpropanoate CAS Name: 2-methylpropanoic 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 2-methylpropanoate Traditional Name: 2-methylpropionic acid (3-benzoyl-6-ethoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O5/c1-4-28-16-10-11-17-19(12-16)24(27)20(21(25)15-8-6-5-7-9-15)18(23-17)13-29-22(26)14(2)3/h5-12,14H,4,13H2,1-3H3