(3S,4Z,5S)-4-(1,3-benzodioxol-5-ylmethylidene)-1-phenyl-pyrazolidine-3,5-diol

Systemtic Name: (3S,4Z,5S)-4-(1,3-benzodioxol-5-ylmethylidene)-1-phenyl-pyrazolidine-3,5-diol Openeye Name: (3S,4Z,5S)-4-(1,3-benzodioxol-5-ylmethylene)-1-phenyl-pyrazolidine-3,5-diol CAS Name: (3S,4Z,5S)-4-(1,3-benzodioxol-5-ylmethylidene)-1-phenylpyrazolidine-3,5-diol IUPAC Name: (3S,4Z,5S)-4-(1,3-benzodioxol-5-ylmethylidene)-1-phenylpyrazolidine-3,5-diol Traditional Name: (3S,4Z,5S)-1-phenyl-4-piperonylidene-pyrazolidine-3,5-diol Formula: C17H16N2O4 MolecularWeight: 312.31994

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C3C(NN(C3O)C4=CC=CC=C4)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C\3/[C@@H](NN([C@H]3O)C4=CC=CC=C4)O

InChI

InChI=1S/C17H16N2O4/c20-16-13(8-11-6-7-14-15(9-11)23-10-22-14)17(21)19(18-16)12-4-2-1-3-5-12/h1-9,16-18,20-21H,10H2/b13-8-/t16-,17-/m0/s1