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

Systemtic Name: [6-ethoxy-4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl propanoate Openeye Name: (3-benzoyl-6-ethoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl propanoate CAS Name: propanoic 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 propanoate Traditional Name: propionic acid (3-benzoyl-6-ethoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCC1=NC2=C(C=C(C=C2)OCC)[N+](=C1C(=O)C3=CC=CC=C3)[O-]

Isomeric SMILES

CCC(=O)OCC1=NC2=C(C=C(C=C2)OCC)[N+](=C1C(=O)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C21H20N2O5/c1-3-19(24)28-13-17-20(21(25)14-8-6-5-7-9-14)23(26)18-12-15(27-4-2)10-11-16(18)22-17/h5-12H,3-4,13H2,1-2H3