2-methyl-5-[5-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]furan-2-yl]benzoic acid

Systemtic Name: 2-methyl-5-[5-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]furan-2-yl]benzoic acid Openeye Name: 2-methyl-5-[5-[(E)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]-2-furyl]benzoic acid CAS Name: 2-methyl-5-[5-[(E)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]-2-furanyl]benzoic acid IUPAC Name: 2-methyl-5-[5-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]furan-2-yl]benzoic acid Traditional Name: 5-[5-[(E)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]-2-furyl]-2-methyl-benzoic acid Formula: C23H18N2O4 MolecularWeight: 386.40002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C=C3C(=NN(C3=O)C4=CC=CC=C4)C)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)/C=C/3\C(=NN(C3=O)C4=CC=CC=C4)C)C(=O)O

InChI

InChI=1S/C23H18N2O4/c1-14-8-9-16(12-19(14)23(27)28)21-11-10-18(29-21)13-20-15(2)24-25(22(20)26)17-6-4-3-5-7-17/h3-13H,1-2H3,(H,27,28)/b20-13+