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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(diethylamino)benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(diethylamino)benzoate CAS Name: 4-(diethylamino)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(diethylamino)benzoate Traditional Name: 4-(diethylamino)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6/c1-3-21(4-2)17-7-5-14(6-8-17)20(23)27-12-16-10-18(22(24)25)9-15-11-26-13-28-19(15)16/h5-10H,3-4,11-13H2,1-2H3