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

Systemtic Name: (2E,3E)-4-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-2-ethylidene-hexa-3,5-dienoic acid Openeye Name: (2E,3E)-4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-2-ethylidene-hexa-3,5-dienoic acid CAS Name: (2E,3E)-4-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-2-ethylidenehexa-3,5-dienoic acid IUPAC Name: (2E,3E)-4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-2-ethylidenehexa-3,5-dienoic acid Traditional Name: (2E,3E)-4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-2-ethylidene-hexa-3,5-dienoic acid Formula: C14H17BrN2O2 MolecularWeight: 325.20098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17BrN2O2/c1-5-11(7-12(6-2)14(18)19)8-17-10(4)13(15)9(3)16-17/h5-7H,1,8H2,2-4H3,(H,18,19)/b11-7+,12-6+