ethyl (E)-3-[3-(4-iodanyl-3-methyl-pyrazol-1-yl)propanoylamino]but-2-enoate

Systemtic Name: ethyl (E)-3-[3-(4-iodanyl-3-methyl-pyrazol-1-yl)propanoylamino]but-2-enoate Openeye Name: ethyl (E)-3-[3-(4-iodo-3-methyl-pyrazol-1-yl)propanoylamino]but-2-enoate CAS Name: (E)-3-[[3-(4-iodo-3-methyl-1-pyrazolyl)-1-oxopropyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[3-(4-iodo-3-methylpyrazol-1-yl)propanoylamino]but-2-enoate Traditional Name: (E)-3-[3-(4-iodo-3-methyl-pyrazol-1-yl)propanoylamino]but-2-enoic acid ethyl ester Formula: C13H18IN3O3 MolecularWeight: 391.20479

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)NC(=O)CCN1C=C(C(=N1)C)I

Isomeric SMILES

CCOC(=O)/C=C(\C)/NC(=O)CCN1C=C(C(=N1)C)I

InChI

InChI=1S/C13H18IN3O3/c1-4-20-13(19)7-9(2)15-12(18)5-6-17-8-11(14)10(3)16-17/h7-8H,4-6H2,1-3H3,(H,15,18)/b9-7+