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

Systemtic Name: [6-ethoxy-4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl 4-ethoxybenzoate Openeye Name: (3-benzoyl-6-ethoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic 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 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid (3-benzoyl-6-ethoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C27H24N2O6 MolecularWeight: 472.48926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)OCC2=NC3=C(C=C(C=C3)OCC)[N+](=C2C(=O)C4=CC=CC=C4)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)OCC2=NC3=C(C=C(C=C3)OCC)[N+](=C2C(=O)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C27H24N2O6/c1-3-33-20-12-10-19(11-13-20)27(31)35-17-23-25(26(30)18-8-6-5-7-9-18)29(32)24-16-21(34-4-2)14-15-22(24)28-23/h5-16H,3-4,17H2,1-2H3