4-(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydroindazol-1-yl)benzoate

Systemtic Name: 4-(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydroindazol-1-yl)benzoate Openeye Name: 4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzoate CAS Name: 4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzoate IUPAC Name: 4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzoate Traditional Name: 4-(4-keto-3,6,6-trimethyl-5,7-dihydroindazol-1-yl)benzoate Formula: C17H17N2O3- MolecularWeight: 297.32848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=O)CC(C2)(C)C)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC1=NN(C2=C1C(=O)CC(C2)(C)C)C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C17H18N2O3/c1-10-15-13(8-17(2,3)9-14(15)20)19(18-10)12-6-4-11(5-7-12)16(21)22/h4-7H,8-9H2,1-3H3,(H,21,22)/p-1