methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(3-oxidanylidene-1,2-dihydropyrazol-4-yl)butanoate

Systemtic Name: methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(3-oxidanylidene-1,2-dihydropyrazol-4-yl)butanoate Openeye Name: methyl 2-(tert-butoxycarbonylamino)-4-(3-oxo-1,2-dihydropyrazol-4-yl)butanoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(3-oxo-1,2-dihydropyrazol-4-yl)butanoic acid methyl ester IUPAC Name: methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(3-oxo-1,2-dihydropyrazol-4-yl)butanoate Traditional Name: 2-(tert-butoxycarbonylamino)-4-(3-keto-3-pyrazolin-4-yl)butyric acid methyl ester Formula: C13H21N3O5 MolecularWeight: 299.32294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC1=CNNC1=O)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCC1=CNNC1=O)C(=O)OC

InChI

InChI=1S/C13H21N3O5/c1-13(2,3)21-12(19)15-9(11(18)20-4)6-5-8-7-14-16-10(8)17/h7,9H,5-6H2,1-4H3,(H,15,19)(H2,14,16,17)