2-[[4-bromanyl-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]-oxidanyl-methylidene]cyclohexane-1,3-dione

Systemtic Name: 2-[[4-bromanyl-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]-oxidanyl-methylidene]cyclohexane-1,3-dione Openeye Name: 2-[[4-bromo-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]-hydroxy-methylene]cyclohexane-1,3-dione CAS Name: 2-[[4-bromo-2-[(1,3,5-trimethyl-4-pyrazolyl)methyl]phenyl]-hydroxymethylidene]cyclohexane-1,3-dione IUPAC Name: 2-[[4-bromo-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]-hydroxymethylidene]cyclohexane-1,3-dione Traditional Name: 2-[[4-bromo-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]-hydroxy-methylene]cyclohexane-1,3-quinone Formula: C20H21BrN2O3 MolecularWeight: 417.29634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CC2=C(C=CC(=C2)Br)C(=C3C(=O)CCCC3=O)O

Isomeric SMILES

CC1=C(C(=NN1C)C)CC2=C(C=CC(=C2)Br)C(=C3C(=O)CCCC3=O)O

InChI

InChI=1S/C20H21BrN2O3/c1-11-16(12(2)23(3)22-11)10-13-9-14(21)7-8-15(13)20(26)19-17(24)5-4-6-18(19)25/h7-9,26H,4-6,10H2,1-3H3