4-[(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-3-methylidene-5-oxidanylidene-pyrazolidin-1-yl]benzoic acid

Systemtic Name: 4-[(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-3-methylidene-5-oxidanylidene-pyrazolidin-1-yl]benzoic acid Openeye Name: 4-[(4E)-4-(1,3-benzodioxol-5-ylmethylene)-3-methylene-5-oxo-pyrazolidin-1-yl]benzoic acid CAS Name: 4-[(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-3-methylene-5-oxo-1-pyrazolidinyl]benzoic acid IUPAC Name: 4-[(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-3-methylidene-5-oxopyrazolidin-1-yl]benzoic acid Traditional Name: 4-[(4E)-5-keto-3-methylene-4-piperonylidene-pyrazolidin-1-yl]benzoic acid Formula: C19H14N2O5 MolecularWeight: 350.32486

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(=CC2=CC3=C(C=C2)OCO3)C(=O)N(N1)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C=C1/C(=C\C2=CC3=C(C=C2)OCO3)/C(=O)N(N1)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C19H14N2O5/c1-11-15(8-12-2-7-16-17(9-12)26-10-25-16)18(22)21(20-11)14-5-3-13(4-6-14)19(23)24/h2-9,20H,1,10H2,(H,23,24)/b15-8+