methyl (E)-5-isocyano-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-3-enoate

Systemtic Name: methyl (E)-5-isocyano-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-3-enoate Openeye Name: methyl (E)-2-(tert-butoxycarbonylamino)-5-isocyano-2-methyl-pent-3-enoate CAS Name: (E)-5-isocyano-2-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-pentenoic acid methyl ester IUPAC Name: methyl (E)-5-isocyano-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-3-enoate Traditional Name: (E)-2-(tert-butoxycarbonylamino)-5-isocyano-2-methyl-pent-3-enoic acid methyl ester Formula: C13H20N2O4 MolecularWeight: 268.3089

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C)(C=CC[N+]#[C-])C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC(C)(/C=C/C[N+]#[C-])C(=O)OC

InChI

InChI=1S/C13H20N2O4/c1-12(2,3)19-11(17)15-13(4,10(16)18-6)8-7-9-14-5/h7-8H,9H2,1-4,6H3,(H,15,17)/b8-7+