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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2,5-dimethylbenzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2,5-dimethylbenzoate CAS Name: 2,5-dimethylbenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2,5-dimethylbenzoate Traditional Name: 2,5-dimethylbenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H17NO6 MolecularWeight: 343.33068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C18H17NO6/c1-11-3-4-12(2)16(5-11)18(20)24-9-14-7-15(19(21)22)6-13-8-23-10-25-17(13)14/h3-7H,8-10H2,1-2H3