3-[(4Z)-4-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-3-oxidanyl-5-oxidanylidene-pyrazolidin-1-yl]benzoic acid

Systemtic Name: 3-[(4Z)-4-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-3-oxidanyl-5-oxidanylidene-pyrazolidin-1-yl]benzoic acid Openeye Name: 3-[(4Z)-3-hydroxy-4-[(4-hydroxy-3-methoxy-phenyl)methylene]-5-oxo-pyrazolidin-1-yl]benzoic acid CAS Name: 3-[(4Z)-3-hydroxy-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-oxo-1-pyrazolidinyl]benzoic acid IUPAC Name: 3-[(4Z)-3-hydroxy-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-oxopyrazolidin-1-yl]benzoic acid Traditional Name: 3-[(4Z)-3-hydroxy-5-keto-4-vanillylidene-pyrazolidin-1-yl]benzoic acid Formula: C18H16N2O6 MolecularWeight: 356.32944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O6/c1-26-15-8-10(5-6-14(15)21)7-13-16(22)19-20(17(13)23)12-4-2-3-11(9-12)18(24)25/h2-9,16,19,21-22H,1H3,(H,24,25)/b13-7-