1-(3-methylidene-5-oxidanyl-5-pyridin-3-yl-pyrazolidin-1-yl)-2-(4-nitrophenyl)ethanone

Systemtic Name: 1-(3-methylidene-5-oxidanyl-5-pyridin-3-yl-pyrazolidin-1-yl)-2-(4-nitrophenyl)ethanone Openeye Name: 1-[5-hydroxy-3-methylene-5-(3-pyridyl)pyrazolidin-1-yl]-2-(4-nitrophenyl)ethanone CAS Name: 1-[5-hydroxy-3-methylene-5-(3-pyridinyl)-1-pyrazolidinyl]-2-(4-nitrophenyl)ethanone IUPAC Name: 1-(5-hydroxy-3-methylidene-5-pyridin-3-ylpyrazolidin-1-yl)-2-(4-nitrophenyl)ethanone Traditional Name: 1-[5-hydroxy-3-methylene-5-(3-pyridyl)pyrazolidin-1-yl]-2-(4-nitrophenyl)ethanone Formula: C17H16N4O4 MolecularWeight: 340.33334

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Descriptors Computed from Structure

Canonical SMILES:

C=C1CC(N(N1)C(=O)CC2=CC=C(C=C2)[N+](=O)[O-])(C3=CN=CC=C3)O

Isomeric SMILES

C=C1CC(N(N1)C(=O)CC2=CC=C(C=C2)[N+](=O)[O-])(C3=CN=CC=C3)O

InChI

InChI=1S/C17H16N4O4/c1-12-10-17(23,14-3-2-8-18-11-14)20(19-12)16(22)9-13-4-6-15(7-5-13)21(24)25/h2-8,11,19,23H,1,9-10H2