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

Systemtic Name: potassium (E)-5-isocyano-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-3-enoate Openeye Name: potassium (E)-2-(tert-butoxycarbonylamino)-5-isocyano-2-methyl-pent-3-enoate CAS Name: potassium (E)-5-isocyano-2-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-pentenoate IUPAC Name: potassium (E)-5-isocyano-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-3-enoate Traditional Name: potassium (E)-2-(tert-butoxycarbonylamino)-5-isocyano-2-methyl-pent-3-enoate Formula: C12H17KN2O4 MolecularWeight: 292.37268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O4.K/c1-11(2,3)18-10(17)14-12(4,9(15)16)7-6-8-13-5;/h6-7H,8H2,1-4H3,(H,14,17)(H,15,16);/q;+1/p-1/b7-6+;