2-[2-[(E,3Z)-3-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)prop-1-enyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-[(E,3Z)-3-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)prop-1-enyl]phenoxy]ethanoic acid Openeye Name: 2-[2-[(E,3Z)-3-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)prop-1-enyl]phenoxy]acetic acid CAS Name: 2-[2-[(E,3Z)-3-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)prop-1-enyl]phenoxy]acetic acid IUPAC Name: 2-[2-[(E,3Z)-3-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)prop-1-enyl]phenoxy]acetic acid Traditional Name: 2-[2-[(E,3Z)-3-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)prop-1-enyl]phenoxy]acetic acid Formula: C21H18N2O4 MolecularWeight: 362.37862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC=CC2=CC=CC=C2OCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C=C\C2=CC=CC=C2OCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C21H18N2O4/c1-15-18(21(26)23(22-15)17-10-3-2-4-11-17)12-7-9-16-8-5-6-13-19(16)27-14-20(24)25/h2-13H,14H2,1H3,(H,24,25)/b9-7+,18-12-