3-[(4Z)-4-[(2-bromanyl-4,5-dimethoxy-phenyl)methylidene]-3-methylidene-5-oxidanylidene-pyrazolidin-1-yl]benzoic acid

Systemtic Name: 3-[(4Z)-4-[(2-bromanyl-4,5-dimethoxy-phenyl)methylidene]-3-methylidene-5-oxidanylidene-pyrazolidin-1-yl]benzoic acid Openeye Name: 3-[(4Z)-4-[(2-bromo-4,5-dimethoxy-phenyl)methylene]-3-methylene-5-oxo-pyrazolidin-1-yl]benzoic acid CAS Name: 3-[(4Z)-4-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3-methylene-5-oxo-1-pyrazolidinyl]benzoic acid IUPAC Name: 3-[(4Z)-4-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3-methylidene-5-oxopyrazolidin-1-yl]benzoic acid Traditional Name: 3-[(4Z)-4-(2-bromo-4,5-dimethoxy-benzylidene)-5-keto-3-methylene-pyrazolidin-1-yl]benzoic acid Formula: C20H17BrN2O5 MolecularWeight: 445.26338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrN2O5/c1-11-15(8-13-9-17(27-2)18(28-3)10-16(13)21)19(24)23(22-11)14-6-4-5-12(7-14)20(25)26/h4-10,22H,1H2,2-3H3,(H,25,26)/b15-8-