2,3-dihydro-1,4-benzodioxin-3-ylmethyl 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 4-(dimethylamino)-3-nitro-benzoate Openeye Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid 2,3-dihydro-1,4-benzodioxin-3-ylmethyl ester IUPAC Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid 2,3-dihydro-1,4-benzodioxin-3-ylmethyl ester Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)OCC2COC3=CC=CC=C3O2)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)OCC2COC3=CC=CC=C3O2)[N+](=O)[O-]

InChI

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