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

Systemtic Name: 6-methyl-3-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]pyran-2,4-dione Openeye Name: 6-methyl-3-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]pyran-2,4-dione CAS Name: 6-methyl-3-[(E)-1-oxo-3-(1-phenyl-4-pyrazolyl)prop-2-enyl]pyran-2,4-dione IUPAC Name: 6-methyl-3-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]pyran-2,4-dione Traditional Name: 6-methyl-3-[(E)-3-(1-phenylpyrazol-4-yl)acryloyl]pyran-2,4-quinone Formula: C18H14N2O4 MolecularWeight: 322.31476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(C(=O)O1)C(=O)C=CC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C18H14N2O4/c1-12-9-16(22)17(18(23)24-12)15(21)8-7-13-10-19-20(11-13)14-5-3-2-4-6-14/h2-11,17H,1H3/b8-7+