1-[2-[2-(1,3-benzodioxol-5-yl)ethanoyl]pyrazolidin-1-yl]-6-nitro-hexan-1-one

Systemtic Name: 1-[2-[2-(1,3-benzodioxol-5-yl)ethanoyl]pyrazolidin-1-yl]-6-nitro-hexan-1-one Openeye Name: 1-[2-[2-(1,3-benzodioxol-5-yl)acetyl]pyrazolidin-1-yl]-6-nitro-hexan-1-one CAS Name: 1-[2-[2-(1,3-benzodioxol-5-yl)-1-oxoethyl]-1-pyrazolidinyl]-6-nitro-1-hexanone IUPAC Name: 1-[2-[2-(1,3-benzodioxol-5-yl)acetyl]pyrazolidin-1-yl]-6-nitrohexan-1-one Traditional Name: 1-[2-[2-(1,3-benzodioxol-5-yl)acetyl]pyrazolidin-1-yl]-6-nitro-hexan-1-one Formula: C18H23N3O6 MolecularWeight: 377.39172

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N(C1)C(=O)CC2=CC3=C(C=C2)OCO3)C(=O)CCCCC[N+](=O)[O-]

Isomeric SMILES

C1CN(N(C1)C(=O)CC2=CC3=C(C=C2)OCO3)C(=O)CCCCC[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O6/c22-17(5-2-1-3-10-21(24)25)19-8-4-9-20(19)18(23)12-14-6-7-15-16(11-14)27-13-26-15/h6-7,11H,1-5,8-10,12-13H2