(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-chlorophenyl)-3-methyl-butanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-chlorophenyl)-3-methyl-butanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-chlorophenyl)-3-methyl-butanoate CAS Name: 2-(4-chlorophenyl)-3-methylbutanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-chlorophenyl)-3-methylbutanoate Traditional Name: 2-(4-chlorophenyl)-3-methyl-butyric acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H20ClNO6 MolecularWeight: 405.8289

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClNO6/c1-12(2)18(13-3-5-16(21)6-4-13)20(23)27-10-15-8-17(22(24)25)7-14-9-26-11-28-19(14)15/h3-8,12,18H,9-11H2,1-2H3