ditert-butyl 2-[(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)carbonylamino]pentanedioate

Systemtic Name: ditert-butyl 2-[(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)carbonylamino]pentanedioate Openeye Name: ditert-butyl 2-[(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)amino]pentanedioate CAS Name: 2-[[oxo-(3-oxo-2-phenyl-1H-pyrazol-5-yl)methyl]amino]pentanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)amino]pentanedioate Traditional Name: 2-[(5-keto-1-phenyl-3-pyrazoline-3-carbonyl)amino]glutaric acid ditert-butyl ester Formula: C23H31N3O6 MolecularWeight: 445.50874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC(C(=O)OC(C)(C)C)NC(=O)C1=CC(=O)N(N1)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)CCC(C(=O)OC(C)(C)C)NC(=O)C1=CC(=O)N(N1)C2=CC=CC=C2

InChI

InChI=1S/C23H31N3O6/c1-22(2,3)31-19(28)13-12-16(21(30)32-23(4,5)6)24-20(29)17-14-18(27)26(25-17)15-10-8-7-9-11-15/h7-11,14,16,25H,12-13H2,1-6H3,(H,24,29)