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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H19N3O9 MolecularWeight: 445.37956

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O9/c24-20(13-1-2-17(18(9-13)23(27)28)21-3-5-29-6-4-21)31-11-15-8-16(22(25)26)7-14-10-30-12-32-19(14)15/h1-2,7-9H,3-6,10-12H2