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

Systemtic Name: 2-[(4E)-3-oxidanylidene-4-(4-phenoxy-1,2-dihydropyrazol-3-ylidene)cyclohexa-1,5-dien-1-yl]oxyethanoic acid Openeye Name: 2-[(4E)-3-oxo-4-(4-phenoxy-1,2-dihydropyrazol-3-ylidene)cyclohexa-1,5-dien-1-yl]oxyacetic acid CAS Name: 2-[[(4E)-3-oxo-4-(4-phenoxy-1,2-dihydropyrazol-3-ylidene)-1-cyclohexa-1,5-dienyl]oxy]acetic acid IUPAC Name: 2-[(4E)-3-oxo-4-(4-phenoxy-1,2-dihydropyrazol-3-ylidene)cyclohexa-1,5-dien-1-yl]oxyacetic acid Traditional Name: 2-[(4E)-3-keto-4-(4-phenoxy-3-pyrazolin-3-ylidene)cyclohexa-1,5-dien-1-yl]oxyacetic acid Formula: C17H14N2O5 MolecularWeight: 326.30346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CNNC2=C3C=CC(=CC3=O)OCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC\2=CNN/C2=C/3\C=CC(=CC3=O)OCC(=O)O

InChI

InChI=1S/C17H14N2O5/c20-14-8-12(23-10-16(21)22)6-7-13(14)17-15(9-18-19-17)24-11-4-2-1-3-5-11/h1-9,18-19H,10H2,(H,21,22)/b17-13+