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

Systemtic Name: (3-ethanoyl-4-oxidanidyl-quinoxalin-4-ium-2-yl)methyl 4-tert-butylbenzoate Openeye Name: (3-acetyl-4-oxido-quinoxalin-4-ium-2-yl)methyl 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid (3-acetyl-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-acetyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid (3-acetyl-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=[N+](C2=CC=CC=C2N=C1COC(=O)C3=CC=C(C=C3)C(C)(C)C)[O-]

Isomeric SMILES

CC(=O)C1=[N+](C2=CC=CC=C2N=C1COC(=O)C3=CC=C(C=C3)C(C)(C)C)[O-]

InChI

InChI=1S/C22H22N2O4/c1-14(25)20-18(23-17-7-5-6-8-19(17)24(20)27)13-28-21(26)15-9-11-16(12-10-15)22(2,3)4/h5-12H,13H2,1-4H3