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

Systemtic Name: 2-[(4E)-4-(5-methyl-4-phenoxy-1,2-dihydropyrazol-3-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]oxyethanoic acid Openeye Name: 2-[(4E)-4-(5-methyl-4-phenoxy-1,2-dihydropyrazol-3-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]oxyacetic acid CAS Name: 2-[[(4E)-4-(5-methyl-4-phenoxy-1,2-dihydropyrazol-3-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]oxy]acetic acid IUPAC Name: 2-[(4E)-4-(5-methyl-4-phenoxy-1,2-dihydropyrazol-3-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]oxyacetic acid Traditional Name: 2-[(4E)-3-keto-4-(5-methyl-4-phenoxy-3-pyrazolin-3-ylidene)cyclohexa-1,5-dien-1-yl]oxyacetic acid Formula: C18H16N2O5 MolecularWeight: 340.33004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O5/c1-11-18(25-12-5-3-2-4-6-12)17(20-19-11)14-8-7-13(9-15(14)21)24-10-16(22)23/h2-9,19-20H,10H2,1H3,(H,22,23)/b17-14+