4-[(4Z)-3-methyl-5-oxidanylidene-4-[(3-prop-2-ynoxyphenyl)methylidene]pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[(4Z)-3-methyl-5-oxidanylidene-4-[(3-prop-2-ynoxyphenyl)methylidene]pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4Z)-3-methyl-5-oxo-4-[(3-prop-2-ynoxyphenyl)methylene]pyrazol-1-yl]benzoic acid CAS Name: 4-[(4Z)-3-methyl-5-oxo-4-[(3-prop-2-ynoxyphenyl)methylidene]-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4Z)-3-methyl-5-oxo-4-[(3-prop-2-ynoxyphenyl)methylidene]pyrazol-1-yl]benzoic acid Traditional Name: 4-[(4Z)-5-keto-3-methyl-4-(3-propargyloxybenzylidene)-2-pyrazolin-1-yl]benzoic acid Formula: C21H16N2O4 MolecularWeight: 360.36274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=CC=C2)OCC#C)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC(=CC=C2)OCC#C)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H16N2O4/c1-3-11-27-18-6-4-5-15(12-18)13-19-14(2)22-23(20(19)24)17-9-7-16(8-10-17)21(25)26/h1,4-10,12-13H,11H2,2H3,(H,25,26)/b19-13-