tert-butyl 5-cyclopropyl-3-[(4-nitrophenoxy)carbonylamino]pyrazole-1-carboxylate

Systemtic Name: tert-butyl 5-cyclopropyl-3-[(4-nitrophenoxy)carbonylamino]pyrazole-1-carboxylate Openeye Name: tert-butyl 5-cyclopropyl-3-[(4-nitrophenoxy)carbonylamino]pyrazole-1-carboxylate CAS Name: 5-cyclopropyl-3-[[(4-nitrophenoxy)-oxomethyl]amino]-1-pyrazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-cyclopropyl-3-[(4-nitrophenoxy)carbonylamino]pyrazole-1-carboxylate Traditional Name: 5-cyclopropyl-3-[(4-nitrophenoxy)carbonylamino]pyrazole-1-carboxylic acid tert-butyl ester Formula: C18H20N4O6 MolecularWeight: 388.3746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(=CC(=N1)NC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C3CC3

Isomeric SMILES

CC(C)(C)OC(=O)N1C(=CC(=N1)NC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C3CC3

InChI

InChI=1S/C18H20N4O6/c1-18(2,3)28-17(24)21-14(11-4-5-11)10-15(20-21)19-16(23)27-13-8-6-12(7-9-13)22(25)26/h6-11H,4-5H2,1-3H3,(H,19,20,23)