(4-nitrophenyl)methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(4-nitrophenyl)methyl]-3-propan-2-yl-1H-pyrazole-5-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(4-nitrophenyl)methyl]-3-propan-2-yl-1H-pyrazole-5-carboxylate Openeye Name: (4-nitrophenyl)methyl 5-(tert-butoxycarbonylamino)-3-isopropyl-2-[(4-nitrophenyl)methyl]-1H-pyrazole-5-carboxylate CAS Name: 5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-[(4-nitrophenyl)methyl]-3-propan-2-yl-1H-pyrazole-5-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(4-nitrophenyl)methyl]-3-propan-2-yl-1H-pyrazole-5-carboxylate Traditional Name: 3-(tert-butoxycarbonylamino)-5-isopropyl-1-(4-nitrobenzyl)-3-pyrazoline-3-carboxylic acid (4-nitrobenzyl) ester Formula: C26H31N5O8 MolecularWeight: 541.55304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(NN1CC2=CC=C(C=C2)[N+](=O)[O-])(C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C1=CC(NN1CC2=CC=C(C=C2)[N+](=O)[O-])(C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)OC(C)(C)C

InChI

InChI=1S/C26H31N5O8/c1-17(2)22-14-26(27-24(33)39-25(3,4)5,23(32)38-16-19-8-12-21(13-9-19)31(36)37)28-29(22)15-18-6-10-20(11-7-18)30(34)35/h6-14,17,28H,15-16H2,1-5H3,(H,27,33)