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

Systemtic Name: (3-ethanoyl-6-methoxy-4-oxidanidyl-quinoxalin-4-ium-2-yl)methyl 2-ethoxybenzoate Openeye Name: (3-acetyl-6-methoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl 2-ethoxybenzoate CAS Name: 2-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 2-ethoxybenzoate Traditional Name: 2-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=CC=C1C(=O)OCC2=NC3=C(C=C(C=C3)OC)[N+](=C2C(=O)C)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)OCC2=NC3=C(C=C(C=C3)OC)[N+](=C2C(=O)C)[O-]

InChI

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