tert-butyl 4-azanyl-4-oxidanylidene-2-[(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)carbonylamino]butanoate

Systemtic Name: tert-butyl 4-azanyl-4-oxidanylidene-2-[(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)carbonylamino]butanoate Openeye Name: tert-butyl 4-amino-4-oxo-2-[(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)amino]butanoate CAS Name: 4-amino-4-oxo-2-[[oxo-(3-oxo-2-phenyl-1H-pyrazol-5-yl)methyl]amino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-amino-4-oxo-2-[(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)amino]butanoate Traditional Name: 4-amino-4-keto-2-[(5-keto-1-phenyl-3-pyrazoline-3-carbonyl)amino]butyric acid tert-butyl ester Formula: C18H22N4O5 MolecularWeight: 374.39108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O5/c1-18(2,3)27-17(26)13(9-14(19)23)20-16(25)12-10-15(24)22(21-12)11-7-5-4-6-8-11/h4-8,10,13,21H,9H2,1-3H3,(H2,19,23)(H,20,25)