2-chloranyl-5-[4-[(3-methoxy-4-phenylmethoxy-phenyl)methylidene]-3-methylidene-5-oxidanylidene-pyrazolidin-1-yl]benzoic acid

Systemtic Name: 2-chloranyl-5-[4-[(3-methoxy-4-phenylmethoxy-phenyl)methylidene]-3-methylidene-5-oxidanylidene-pyrazolidin-1-yl]benzoic acid Openeye Name: 5-[4-[(4-benzyloxy-3-methoxy-phenyl)methylene]-3-methylene-5-oxo-pyrazolidin-1-yl]-2-chloro-benzoic acid CAS Name: 2-chloro-5-[4-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-3-methylene-5-oxo-1-pyrazolidinyl]benzoic acid IUPAC Name: 2-chloro-5-[4-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-3-methylidene-5-oxopyrazolidin-1-yl]benzoic acid Traditional Name: 5-[4-(4-benzoxy-3-methoxy-benzylidene)-5-keto-3-methylene-pyrazolidin-1-yl]-2-chloro-benzoic acid Formula: C26H21ClN2O5 MolecularWeight: 476.90834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=C)NN(C2=O)C3=CC(=C(C=C3)Cl)C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C=C2C(=C)NN(C2=O)C3=CC(=C(C=C3)Cl)C(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H21ClN2O5/c1-16-20(25(30)29(28-16)19-9-10-22(27)21(14-19)26(31)32)12-18-8-11-23(24(13-18)33-2)34-15-17-6-4-3-5-7-17/h3-14,28H,1,15H2,2H3,(H,31,32)