(E)-5-cyano-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-3-enoic acid

Systemtic Name: (E)-5-cyano-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-3-enoic acid Openeye Name: (E)-2-(tert-butoxycarbonylamino)-5-cyano-2-methyl-pent-3-enoic acid CAS Name: (E)-5-cyano-2-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-pentenoic acid IUPAC Name: (E)-5-cyano-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-3-enoic acid Traditional Name: (E)-2-(tert-butoxycarbonylamino)-5-cyano-2-methyl-pent-3-enoic acid Formula: C12H18N2O4 MolecularWeight: 254.28232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C)(C=CCC#N)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(C)(/C=C/CC#N)C(=O)O

InChI

InChI=1S/C12H18N2O4/c1-11(2,3)18-10(17)14-12(4,9(15)16)7-5-6-8-13/h5,7H,6H2,1-4H3,(H,14,17)(H,15,16)/b7-5+