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

Systemtic Name: (3-ethanoyl-6-methoxy-4-oxidanidyl-quinoxalin-4-ium-2-yl)methyl 4-tert-butylbenzoate Openeye Name: (3-acetyl-6-methoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic 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-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid (3-acetyl-6-methoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C23H24N2O5 MolecularWeight: 408.44706

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=[N+](C2=C(C=CC(=C2)OC)N=C1COC(=O)C3=CC=C(C=C3)C(C)(C)C)[O-]

Isomeric SMILES

CC(=O)C1=[N+](C2=C(C=CC(=C2)OC)N=C1COC(=O)C3=CC=C(C=C3)C(C)(C)C)[O-]

InChI

InChI=1S/C23H24N2O5/c1-14(26)21-19(24-18-11-10-17(29-5)12-20(18)25(21)28)13-30-22(27)15-6-8-16(9-7-15)23(2,3)4/h6-12H,13H2,1-5H3