ethyl 4-[(E)-2-bromanylethenyl]-1-(oxan-2-yl)pyrazole-3-carboxylate

Systemtic Name: ethyl 4-[(E)-2-bromanylethenyl]-1-(oxan-2-yl)pyrazole-3-carboxylate Openeye Name: ethyl 4-[(E)-2-bromovinyl]-1-tetrahydropyran-2-yl-pyrazole-3-carboxylate CAS Name: 4-[(E)-2-bromoethenyl]-1-(2-oxanyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-2-bromoethenyl]-1-(oxan-2-yl)pyrazole-3-carboxylate Traditional Name: 4-[(E)-2-bromovinyl]-1-tetrahydropyran-2-yl-pyrazole-3-carboxylic acid ethyl ester Formula: C13H17BrN2O3 MolecularWeight: 329.18968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C=C1C=CBr)C2CCCCO2

Isomeric SMILES

CCOC(=O)C1=NN(C=C1/C=C/Br)C2CCCCO2

InChI

InChI=1S/C13H17BrN2O3/c1-2-18-13(17)12-10(6-7-14)9-16(15-12)11-5-3-4-8-19-11/h6-7,9,11H,2-5,8H2,1H3/b7-6+