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

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-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 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-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)C(=O)OCC3=CC4=C(C=C3Br)OCCO4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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