(2E,3E)-4-[(4-bromanylpyrazol-1-yl)methyl]-2-ethylidene-hexa-3,5-dienoic acid

Systemtic Name: (2E,3E)-4-[(4-bromanylpyrazol-1-yl)methyl]-2-ethylidene-hexa-3,5-dienoic acid Openeye Name: (2E,3E)-4-[(4-bromopyrazol-1-yl)methyl]-2-ethylidene-hexa-3,5-dienoic acid CAS Name: (2E,3E)-4-[(4-bromo-1-pyrazolyl)methyl]-2-ethylidenehexa-3,5-dienoic acid IUPAC Name: (2E,3E)-4-[(4-bromopyrazol-1-yl)methyl]-2-ethylidenehexa-3,5-dienoic acid Traditional Name: (2E,3E)-4-[(4-bromopyrazol-1-yl)methyl]-2-ethylidene-hexa-3,5-dienoic acid Formula: C12H13BrN2O2 MolecularWeight: 297.14782

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C=C(CN1C=C(C=N1)Br)C=C)C(=O)O

Isomeric SMILES

C/C=C(\C=C(\CN1C=C(C=N1)Br)/C=C)/C(=O)O

InChI

InChI=1S/C12H13BrN2O2/c1-3-9(5-10(4-2)12(16)17)7-15-8-11(13)6-14-15/h3-6,8H,1,7H2,2H3,(H,16,17)/b9-5+,10-4+