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

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 2-(dimethylamino)-5-nitro-benzoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-(dimethylamino)-5-nitro-benzoate CAS Name: 2-(dimethylamino)-5-nitrobenzoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-(dimethylamino)-5-nitrobenzoate Traditional Name: 2-(dimethylamino)-5-nitro-benzoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H17ClN2O6 MolecularWeight: 392.79038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN2O6/c1-20(2)16-4-3-14(21(23)24)7-15(16)18(22)26-9-12-6-13(19)5-11-8-25-10-27-17(11)12/h3-7H,8-10H2,1-2H3