3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)prop-2-ynoic acid

Systemtic Name: 3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)prop-2-ynoic acid Openeye Name: 3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)prop-2-ynoic acid CAS Name: 3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-propynoic acid IUPAC Name: 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)prop-2-ynoic acid Traditional Name: 3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)propiolic acid Formula: C14H12N2O3 MolecularWeight: 256.25668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C#CC(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C#CC(=O)O

InChI

InChI=1S/C14H12N2O3/c1-10-12(8-9-13(17)18)14(19)16(15(10)2)11-6-4-3-5-7-11/h3-7H,1-2H3,(H,17,18)