2-[2,8-dimethyl-4-oxidanylidene-3-(1-phenylpyrazol-4-yl)oxy-chromen-7-yl]oxyethanoic acid

Systemtic Name: 2-[2,8-dimethyl-4-oxidanylidene-3-(1-phenylpyrazol-4-yl)oxy-chromen-7-yl]oxyethanoic acid Openeye Name: 2-[2,8-dimethyl-4-oxo-3-(1-phenylpyrazol-4-yl)oxy-chromen-7-yl]oxyacetic acid CAS Name: 2-[[2,8-dimethyl-4-oxo-3-[(1-phenyl-4-pyrazolyl)oxy]-1-benzopyran-7-yl]oxy]acetic acid IUPAC Name: 2-[2,8-dimethyl-4-oxo-3-(1-phenylpyrazol-4-yl)oxychromen-7-yl]oxyacetic acid Traditional Name: 2-[4-keto-2,8-dimethyl-3-(1-phenylpyrazol-4-yl)oxy-chromen-7-yl]oxyacetic acid Formula: C22H18N2O6 MolecularWeight: 406.38812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CN(N=C3)C4=CC=CC=C4)C)OCC(=O)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CN(N=C3)C4=CC=CC=C4)C)OCC(=O)O

InChI

InChI=1S/C22H18N2O6/c1-13-18(28-12-19(25)26)9-8-17-20(27)22(14(2)29-21(13)17)30-16-10-23-24(11-16)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,25,26)