2-[4-bromanyl-2-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-bromanyl-2-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]ethanoic acid Openeye Name: 2-[4-bromo-2-[(E)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]acetic acid CAS Name: 2-[4-bromo-2-[(E)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenoxy]acetic acid IUPAC Name: 2-[4-bromo-2-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenoxy]acetic acid Traditional Name: 2-[4-bromo-2-[(E)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]phenoxy]acetic acid Formula: C19H15BrN2O4 MolecularWeight: 415.2374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15BrN2O4/c1-12-16(19(25)22(21-12)15-5-3-2-4-6-15)10-13-9-14(20)7-8-17(13)26-11-18(23)24/h2-10H,11H2,1H3,(H,23,24)/b16-10+