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

Systemtic Name: 6-methyl-4-oxidanylidene-3-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]pyran-2-olate Openeye Name: 6-methyl-4-oxo-3-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]pyran-2-olate CAS Name: 6-methyl-4-oxo-3-[(E)-1-oxo-3-(1-phenyl-4-pyrazolyl)prop-2-enyl]-2-pyranolate IUPAC Name: 6-methyl-4-oxo-3-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]pyran-2-olate Traditional Name: 4-keto-6-methyl-3-[(E)-3-(1-phenylpyrazol-4-yl)acryloyl]pyran-2-olate Formula: C18H13N2O4- MolecularWeight: 321.30682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=O)C(=C(O1)[O-])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/h2-11,23H,1H3/p-1/b8-7+