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

Systemtic Name: 4-[(4E)-4-[(3,4-dimethoxyphenyl)methylidene]-3-methylidene-5-oxidanylidene-pyrazolidin-1-yl]benzoic acid Openeye Name: 4-[(4E)-4-[(3,4-dimethoxyphenyl)methylene]-3-methylene-5-oxo-pyrazolidin-1-yl]benzoic acid CAS Name: 4-[(4E)-4-[(3,4-dimethoxyphenyl)methylidene]-3-methylene-5-oxo-1-pyrazolidinyl]benzoic acid IUPAC Name: 4-[(4E)-4-[(3,4-dimethoxyphenyl)methylidene]-3-methylidene-5-oxopyrazolidin-1-yl]benzoic acid Traditional Name: 4-[(4E)-5-keto-3-methylene-4-veratrylidene-pyrazolidin-1-yl]benzoic acid Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C2C(=C)NN(C2=O)C3=CC=C(C=C3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/2\C(=C)NN(C2=O)C3=CC=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C20H18N2O5/c1-12-16(10-13-4-9-17(26-2)18(11-13)27-3)19(23)22(21-12)15-7-5-14(6-8-15)20(24)25/h4-11,21H,1H2,2-3H3,(H,24,25)/b16-10+