methyl 4-[(5-tert-butyl-3-oxidanylidene-1H-pyrazol-2-yl)methyl]benzoate

Systemtic Name: methyl 4-[(5-tert-butyl-3-oxidanylidene-1H-pyrazol-2-yl)methyl]benzoate Openeye Name: methyl 4-[(5-tert-butyl-3-oxo-1H-pyrazol-2-yl)methyl]benzoate CAS Name: 4-[(5-tert-butyl-3-oxo-1H-pyrazol-2-yl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-tert-butyl-3-oxo-1H-pyrazol-2-yl)methyl]benzoate Traditional Name: 4-[(3-tert-butyl-5-keto-3-pyrazolin-1-yl)methyl]benzoic acid methyl ester Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=O)N(N1)CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC(=O)N(N1)CC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C16H20N2O3/c1-16(2,3)13-9-14(19)18(17-13)10-11-5-7-12(8-6-11)15(20)21-4/h5-9,17H,10H2,1-4H3