ethyl 4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazine-1-carboxylate CAS Name: 4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazine-1-carboxylate Traditional Name: 4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H21N3O6 MolecularWeight: 351.35444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C16H21N3O6/c1-2-24-16(20)18-5-3-17(4-6-18)9-12-7-14(19(21)22)8-13-10-23-11-25-15(12)13/h7-8H,2-6,9-11H2,1H3