methyl (E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,2,4-triazol-1-yl)but-2-enoate

Systemtic Name: methyl (E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,2,4-triazol-1-yl)but-2-enoate Openeye Name: methyl (E)-2-(tert-butoxycarbonylamino)-3-(1,2,4-triazol-1-yl)but-2-enoate CAS Name: (E)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(1,2,4-triazol-1-yl)-2-butenoic acid methyl ester IUPAC Name: methyl (E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,2,4-triazol-1-yl)but-2-enoate Traditional Name: (E)-2-(tert-butoxycarbonylamino)-3-(1,2,4-triazol-1-yl)but-2-enoic acid methyl ester Formula: C12H18N4O4 MolecularWeight: 282.29572

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)OC)NC(=O)OC(C)(C)C)N1C=NC=N1

Isomeric SMILES

C/C(=C(/C(=O)OC)\NC(=O)OC(C)(C)C)/N1C=NC=N1

InChI

InChI=1S/C12H18N4O4/c1-8(16-7-13-6-14-16)9(10(17)19-5)15-11(18)20-12(2,3)4/h6-7H,1-5H3,(H,15,18)/b9-8+