3-[(4Z)-4-[(3-chloranyl-4,5-dimethoxy-phenyl)methylidene]-3-methylidene-5-oxidanylidene-pyrazolidin-1-yl]benzoic acid

Systemtic Name: 3-[(4Z)-4-[(3-chloranyl-4,5-dimethoxy-phenyl)methylidene]-3-methylidene-5-oxidanylidene-pyrazolidin-1-yl]benzoic acid Openeye Name: 3-[(4Z)-4-[(3-chloro-4,5-dimethoxy-phenyl)methylene]-3-methylene-5-oxo-pyrazolidin-1-yl]benzoic acid CAS Name: 3-[(4Z)-4-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-3-methylene-5-oxo-1-pyrazolidinyl]benzoic acid IUPAC Name: 3-[(4Z)-4-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-3-methylidene-5-oxopyrazolidin-1-yl]benzoic acid Traditional Name: 3-[(4Z)-4-(3-chloro-4,5-dimethoxy-benzylidene)-5-keto-3-methylene-pyrazolidin-1-yl]benzoic acid Formula: C20H17ClN2O5 MolecularWeight: 400.81238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN2O5/c1-11-15(7-12-8-16(21)18(28-3)17(9-12)27-2)19(24)23(22-11)14-6-4-5-13(10-14)20(25)26/h4-10,22H,1H2,2-3H3,(H,25,26)/b15-7-