2-(1,3-benzodioxol-5-yl)-1-[2-(4-methoxy-5-nitro-thiophen-3-yl)carbonylpyrazolidin-1-yl]ethanone

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-1-[2-(4-methoxy-5-nitro-thiophen-3-yl)carbonylpyrazolidin-1-yl]ethanone Openeye Name: 2-(1,3-benzodioxol-5-yl)-1-[2-(4-methoxy-5-nitro-thiophene-3-carbonyl)pyrazolidin-1-yl]ethanone CAS Name: 2-(1,3-benzodioxol-5-yl)-1-[2-[(4-methoxy-5-nitro-3-thiophenyl)-oxomethyl]-1-pyrazolidinyl]ethanone IUPAC Name: 2-(1,3-benzodioxol-5-yl)-1-[2-(4-methoxy-5-nitrothiophene-3-carbonyl)pyrazolidin-1-yl]ethanone Traditional Name: 2-(1,3-benzodioxol-5-yl)-1-[2-(4-methoxy-5-nitro-thiophene-3-carbonyl)pyrazolidin-1-yl]ethanone Formula: C18H17N3O7S MolecularWeight: 419.40848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(SC=C1C(=O)N2CCCN2C(=O)CC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(SC=C1C(=O)N2CCCN2C(=O)CC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O7S/c1-26-16-12(9-29-18(16)21(24)25)17(23)20-6-2-5-19(20)15(22)8-11-3-4-13-14(7-11)28-10-27-13/h3-4,7,9H,2,5-6,8,10H2,1H3