2-methyl-6-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]pyran-4-one

Systemtic Name: 2-methyl-6-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]pyran-4-one Openeye Name: 2-methyl-6-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]pyran-4-one CAS Name: 2-methyl-6-[(E)-3-(1-methyl-4-pyrazolyl)-1-oxoprop-2-enyl]-4-pyranone IUPAC Name: 2-methyl-6-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]pyran-4-one Traditional Name: 2-methyl-6-[(E)-3-(1-methylpyrazol-4-yl)acryloyl]pyran-4-one Formula: C13H12N2O3 MolecularWeight: 244.24598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O3/c1-9-5-11(16)6-13(18-9)12(17)4-3-10-7-14-15(2)8-10/h3-8H,1-2H3/b4-3+