ethyl (E)-3-[3-(4-iodanyl-5-methyl-pyrazol-1-yl)propanoylamino]but-2-enoate

Systemtic Name: ethyl (E)-3-[3-(4-iodanyl-5-methyl-pyrazol-1-yl)propanoylamino]but-2-enoate Openeye Name: ethyl (E)-3-[3-(4-iodo-5-methyl-pyrazol-1-yl)propanoylamino]but-2-enoate CAS Name: (E)-3-[[3-(4-iodo-5-methyl-1-pyrazolyl)-1-oxopropyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[3-(4-iodo-5-methylpyrazol-1-yl)propanoylamino]but-2-enoate Traditional Name: (E)-3-[3-(4-iodo-5-methyl-pyrazol-1-yl)propanoylamino]but-2-enoic acid ethyl ester Formula: C13H18IN3O3 MolecularWeight: 391.20479

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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