(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2,3,4,5,6-pentamethylbenzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2,3,4,5,6-pentamethylbenzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2,3,4,5,6-pentamethylbenzoate CAS Name: 2,3,4,5,6-pentamethylbenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2,3,4,5,6-pentamethylbenzoate Traditional Name: 2,3,4,5,6-pentamethylbenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C)C

InChI

InChI=1S/C21H23NO6/c1-11-12(2)14(4)19(15(5)13(11)3)21(23)27-9-17-7-18(22(24)25)6-16-8-26-10-28-20(16)17/h6-7H,8-10H2,1-5H3