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

Systemtic Name: 3-[(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]-6-methyl-4-oxidanylidene-pyran-2-olate Openeye Name: 3-[(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]-6-methyl-4-oxo-pyran-2-olate CAS Name: 3-[(E)-3-(1,3-diphenyl-4-pyrazolyl)-1-oxoprop-2-enyl]-6-methyl-4-oxo-2-pyranolate IUPAC Name: 3-[(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]-6-methyl-4-oxopyran-2-olate Traditional Name: 3-[(E)-3-(1,3-diphenylpyrazol-4-yl)acryloyl]-4-keto-6-methyl-pyran-2-olate Formula: C24H17N2O4- MolecularWeight: 397.40278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(O1)[O-])C(=O)C=CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=O)C(=C(O1)[O-])C(=O)/C=C/C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H18N2O4/c1-16-14-21(28)22(24(29)30-16)20(27)13-12-18-15-26(19-10-6-3-7-11-19)25-23(18)17-8-4-2-5-9-17/h2-15,29H,1H3/p-1/b13-12+