2-[4-[bis(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[bis(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]phenoxy]acetic acid CAS Name: 2-[4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]phenoxy]acetic acid IUPAC Name: 2-[4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]phenoxy]acetic acid Traditional Name: 2-[4-[bis(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]phenoxy]acetic acid Formula: C17H18N4O5 MolecularWeight: 358.34862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2=CC=C(C=C2)OCC(=O)O)C3=C(NNC3=O)C

Isomeric SMILES

CC1=C(C(=O)NN1)C(C2=CC=C(C=C2)OCC(=O)O)C3=C(NNC3=O)C

InChI

InChI=1S/C17H18N4O5/c1-8-13(16(24)20-18-8)15(14-9(2)19-21-17(14)25)10-3-5-11(6-4-10)26-7-12(22)23/h3-6,15H,7H2,1-2H3,(H,22,23)(H2,18,20,24)(H2,19,21,25)