(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(4-tert-butylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(4-tert-butylphenyl)-4-oxidanylidene-butanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(4-tert-butylphenyl)-4-oxo-butanoate CAS Name: 4-(4-tert-butylphenyl)-4-oxobutanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(4-tert-butylphenyl)-4-oxobutanoate Traditional Name: 4-(4-tert-butylphenyl)-4-keto-butyric acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C23H25NO7 MolecularWeight: 427.4471

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)CCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)CCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C23H25NO7/c1-23(2,3)18-6-4-15(5-7-18)20(25)8-9-21(26)30-13-17-11-19(24(27)28)10-16-12-29-14-31-22(16)17/h4-7,10-11H,8-9,12-14H2,1-3H3