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

Systemtic Name: 2-chloranyl-5-[(4Z)-3-methyl-5-oxidanylidene-4-[(3-prop-2-ynoxyphenyl)methylidene]pyrazol-1-yl]benzoic acid Openeye Name: 2-chloro-5-[(4Z)-3-methyl-5-oxo-4-[(3-prop-2-ynoxyphenyl)methylene]pyrazol-1-yl]benzoic acid CAS Name: 2-chloro-5-[(4Z)-3-methyl-5-oxo-4-[(3-prop-2-ynoxyphenyl)methylidene]-1-pyrazolyl]benzoic acid IUPAC Name: 2-chloro-5-[(4Z)-3-methyl-5-oxo-4-[(3-prop-2-ynoxyphenyl)methylidene]pyrazol-1-yl]benzoic acid Traditional Name: 2-chloro-5-[(4Z)-5-keto-3-methyl-4-(3-propargyloxybenzylidene)-2-pyrazolin-1-yl]benzoic acid Formula: C21H15ClN2O4 MolecularWeight: 394.8078

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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)Cl)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H15ClN2O4/c1-3-9-28-16-6-4-5-14(10-16)11-17-13(2)23-24(20(17)25)15-7-8-19(22)18(12-15)21(26)27/h1,4-8,10-12H,9H2,2H3,(H,26,27)/b17-11-