3-[(E)-3-[3-(3-bromophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl]-6-methyl-pyran-2,4-dione

Systemtic Name: 3-[(E)-3-[3-(3-bromophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl]-6-methyl-pyran-2,4-dione Openeye Name: 3-[(E)-3-[3-(3-bromophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl]-6-methyl-pyran-2,4-dione CAS Name: 3-[(E)-3-[3-(3-bromophenyl)-1-phenyl-4-pyrazolyl]-1-oxoprop-2-enyl]-6-methylpyran-2,4-dione IUPAC Name: 3-[(E)-3-[3-(3-bromophenyl)-1-phenylpyrazol-4-yl]prop-2-enoyl]-6-methylpyran-2,4-dione Traditional Name: 3-[(E)-3-[3-(3-bromophenyl)-1-phenyl-pyrazol-4-yl]acryloyl]-6-methyl-pyran-2,4-quinone Formula: C24H17BrN2O4 MolecularWeight: 477.30678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(C(=O)O1)C(=O)C=CC2=CN(N=C2C3=CC(=CC=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=O)C(C(=O)O1)C(=O)/C=C/C2=CN(N=C2C3=CC(=CC=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C24H17BrN2O4/c1-15-12-21(29)22(24(30)31-15)20(28)11-10-17-14-27(19-8-3-2-4-9-19)26-23(17)16-6-5-7-18(25)13-16/h2-14,22H,1H3/b11-10+