(4-nitrophenyl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-dihydropyrazole-3-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-dihydropyrazole-3-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-(tert-butoxycarbonylamino)-1,2-dihydropyrazole-3-carboxylate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1,2-dihydropyrazole-3-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-dihydropyrazole-3-carboxylate Traditional Name: 3-(tert-butoxycarbonylamino)-3-pyrazoline-3-carboxylic acid (4-nitrobenzyl) ester Formula: C16H20N4O6 MolecularWeight: 364.3532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1(C=CNN1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NC1(C=CNN1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O6/c1-15(2,3)26-14(22)18-16(8-9-17-19-16)13(21)25-10-11-4-6-12(7-5-11)20(23)24/h4-9,17,19H,10H2,1-3H3,(H,18,22)