3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoic acid

Systemtic Name: 3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoic acid Openeye Name: 3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoic acid CAS Name: 3-[3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid IUPAC Name: 3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]prop-2-enoic acid Traditional Name: 3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]acrylic acid Formula: C18H13BrN2O2 MolecularWeight: 369.21202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Br)C=CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Br)C=CC(=O)O

InChI

InChI=1S/C18H13BrN2O2/c19-15-9-6-13(7-10-15)18-14(8-11-17(22)23)12-21(20-18)16-4-2-1-3-5-16/h1-12H,(H,22,23)