2-[(4E)-4-(5-methyl-4-phenoxy-1,2-dihydropyrazol-3-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]oxypropanoic acid

Systemtic Name: 2-[(4E)-4-(5-methyl-4-phenoxy-1,2-dihydropyrazol-3-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]oxypropanoic acid Openeye Name: 2-[(4E)-4-(5-methyl-4-phenoxy-1,2-dihydropyrazol-3-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]oxypropanoic acid CAS Name: 2-[[(4E)-4-(5-methyl-4-phenoxy-1,2-dihydropyrazol-3-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]oxy]propanoic acid IUPAC Name: 2-[(4E)-4-(5-methyl-4-phenoxy-1,2-dihydropyrazol-3-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]oxypropanoic acid Traditional Name: 2-[(4E)-3-keto-4-(5-methyl-4-phenoxy-3-pyrazolin-3-ylidene)cyclohexa-1,5-dien-1-yl]oxypropionic acid Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C=CC(=CC2=O)OC(C)C(=O)O)NN1)OC3=CC=CC=C3

Isomeric SMILES

CC1=C(/C(=C\2/C=CC(=CC2=O)OC(C)C(=O)O)/NN1)OC3=CC=CC=C3

InChI

InChI=1S/C19H18N2O5/c1-11-18(26-13-6-4-3-5-7-13)17(21-20-11)15-9-8-14(10-16(15)22)25-12(2)19(23)24/h3-10,12,20-21H,1-2H3,(H,23,24)/b17-15+