(3-ethanoyl-6-methoxy-4-oxidanidyl-quinoxalin-4-ium-2-yl)methyl 4-ethoxybenzoate

Systemtic Name: (3-ethanoyl-6-methoxy-4-oxidanidyl-quinoxalin-4-ium-2-yl)methyl 4-ethoxybenzoate Openeye Name: (3-acetyl-6-methoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic acid (3-acetyl-6-methoxy-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid (3-acetyl-6-methoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)OCC2=NC3=C(C=C(C=C3)OC)[N+](=C2C(=O)C)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)OCC2=NC3=C(C=C(C=C3)OC)[N+](=C2C(=O)C)[O-]

InChI

InChI=1S/C21H20N2O6/c1-4-28-15-7-5-14(6-8-15)21(25)29-12-18-20(13(2)24)23(26)19-11-16(27-3)9-10-17(19)22-18/h5-11H,4,12H2,1-3H3