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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(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 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-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)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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