(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C20H19BrN2O7 MolecularWeight: 479.27806

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C20H19BrN2O7/c21-16-11-19-18(28-7-8-29-19)9-13(16)12-30-20(24)15-10-14(23(25)26)1-2-17(15)22-3-5-27-6-4-22/h1-2,9-11H,3-8,12H2