tert-butyl (3E)-3-[azanyl-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]pyrazole-4-carboxylate

Systemtic Name: tert-butyl (3E)-3-[azanyl-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]pyrazole-4-carboxylate Openeye Name: tert-butyl (3E)-3-[amino-(tert-butoxycarbonylamino)methylene]pyrazole-4-carboxylate CAS Name: (3E)-3-[amino-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methylidene]-4-pyrazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3E)-3-[amino-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]pyrazole-4-carboxylate Traditional Name: (3E)-3-[amino-(tert-butoxycarbonylamino)methylene]pyrazole-4-carboxylic acid tert-butyl ester Formula: C14H22N4O4 MolecularWeight: 310.34888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CN=NC1=C(N)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C\1=CN=N/C1=C(\N)/NC(=O)OC(C)(C)C

InChI

InChI=1S/C14H22N4O4/c1-13(2,3)21-11(19)8-7-16-18-9(8)10(15)17-12(20)22-14(4,5)6/h7H,15H2,1-6H3,(H,17,20)/b10-9+