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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(dimethylamino)benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(dimethylamino)benzoate CAS Name: 4-(dimethylamino)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(dimethylamino)benzoate Traditional Name: 4-(dimethylamino)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O6/c1-19(2)15-5-3-12(4-6-15)18(21)25-10-14-8-16(20(22)23)7-13-9-24-11-26-17(13)14/h3-8H,9-11H2,1-2H3