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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-nitro-2-piperidin-1-yl-benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-nitro-2-(1-piperidyl)benzoate CAS Name: 5-nitro-2-(1-piperidinyl)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-nitro-2-piperidin-1-ylbenzoate Traditional Name: 5-nitro-2-piperidino-benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H21N3O8 MolecularWeight: 443.40674

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C21H21N3O8/c25-21(18-10-16(23(26)27)4-5-19(18)22-6-2-1-3-7-22)31-12-15-9-17(24(28)29)8-14-11-30-13-32-20(14)15/h4-5,8-10H,1-3,6-7,11-13H2