2-[[(1R,2E)-1,7-dimethyl-2-[(1-methylpyrazol-4-yl)methylidene]-3-oxidanylidene-1H-inden-4-yl]oxy]ethanoate

Systemtic Name: 2-[[(1R,2E)-1,7-dimethyl-2-[(1-methylpyrazol-4-yl)methylidene]-3-oxidanylidene-1H-inden-4-yl]oxy]ethanoate Openeye Name: 2-[(1R,2E)-1,7-dimethyl-2-[(1-methylpyrazol-4-yl)methylene]-3-oxo-indan-4-yl]oxyacetate CAS Name: 2-[[(1R,2E)-1,7-dimethyl-2-[(1-methyl-4-pyrazolyl)methylidene]-3-oxo-1H-inden-4-yl]oxy]acetate IUPAC Name: 2-[[(1R,2E)-1,7-dimethyl-2-[(1-methylpyrazol-4-yl)methylidene]-3-oxo-1H-inden-4-yl]oxy]acetate Traditional Name: 2-[(1R,2E)-3-keto-1,7-dimethyl-2-[(1-methylpyrazol-4-yl)methylene]indan-4-yl]oxyacetate Formula: C18H17N2O4- MolecularWeight: 325.33858

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=CC2=CN(N=C2)C)C(=O)C3=C(C=CC(=C13)C)OCC(=O)[O-]

Isomeric SMILES

C[C@H]1/C(=C\C2=CN(N=C2)C)/C(=O)C3=C(C=CC(=C13)C)OCC(=O)[O-]

InChI

InChI=1S/C18H18N2O4/c1-10-4-5-14(24-9-15(21)22)17-16(10)11(2)13(18(17)23)6-12-7-19-20(3)8-12/h4-8,11H,9H2,1-3H3,(H,21,22)/p-1/b13-6+/t11-/m0/s1