(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3,5-dimethoxy-4-methyl-benzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3,5-dimethoxy-4-methyl-benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3,5-dimethoxy-4-methyl-benzoate CAS Name: 3,5-dimethoxy-4-methylbenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3,5-dimethoxy-4-methylbenzoate Traditional Name: 3,5-dimethoxy-4-methyl-benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H19NO8 MolecularWeight: 389.35606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1OC)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)OC

Isomeric SMILES

CC1=C(C=C(C=C1OC)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)OC

InChI

InChI=1S/C19H19NO8/c1-11-16(24-2)6-12(7-17(11)25-3)19(21)27-9-14-5-15(20(22)23)4-13-8-26-10-28-18(13)14/h4-7H,8-10H2,1-3H3