3-[(E)-3-[5-chloranyl-1-(2,5-dimethylphenyl)-3-methyl-pyrazol-4-yl]prop-2-enoyl]-6-methyl-2-oxidanyl-pyran-4-one

Systemtic Name: 3-[(E)-3-[5-chloranyl-1-(2,5-dimethylphenyl)-3-methyl-pyrazol-4-yl]prop-2-enoyl]-6-methyl-2-oxidanyl-pyran-4-one Openeye Name: 3-[(E)-3-[5-chloro-1-(2,5-dimethylphenyl)-3-methyl-pyrazol-4-yl]prop-2-enoyl]-2-hydroxy-6-methyl-pyran-4-one CAS Name: 3-[(E)-3-[5-chloro-1-(2,5-dimethylphenyl)-3-methyl-4-pyrazolyl]-1-oxoprop-2-enyl]-2-hydroxy-6-methyl-4-pyranone IUPAC Name: 3-[(E)-3-[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]prop-2-enoyl]-2-hydroxy-6-methylpyran-4-one Traditional Name: 3-[(E)-3-[5-chloro-1-(2,5-dimethylphenyl)-3-methyl-pyrazol-4-yl]acryloyl]-2-hydroxy-6-methyl-pyran-4-one Formula: C21H19ClN2O4 MolecularWeight: 398.83956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=C(C(=N2)C)C=CC(=O)C3=C(OC(=CC3=O)C)O)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=C(C(=N2)C)/C=C/C(=O)C3=C(OC(=CC3=O)C)O)Cl

InChI

InChI=1S/C21H19ClN2O4/c1-11-5-6-12(2)16(9-11)24-20(22)15(14(4)23-24)7-8-17(25)19-18(26)10-13(3)28-21(19)27/h5-10,27H,1-4H3/b8-7+