3-[4-[(E)-3-(6-methyl-2-oxidanyl-4-oxidanylidene-pyran-3-yl)-3-oxidanylidene-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[4-[(E)-3-(6-methyl-2-oxidanyl-4-oxidanylidene-pyran-3-yl)-3-oxidanylidene-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[(E)-3-(2-hydroxy-6-methyl-4-oxo-pyran-3-yl)-3-oxo-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[(E)-3-(2-hydroxy-6-methyl-4-oxo-3-pyranyl)-3-oxoprop-1-enyl]-3-phenyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-[(E)-3-(2-hydroxy-6-methyl-4-oxopyran-3-yl)-3-oxoprop-1-enyl]-3-phenylpyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[(E)-3-(2-hydroxy-4-keto-6-methyl-pyran-3-yl)-3-keto-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propionitrile Formula: C21H17N3O4 MolecularWeight: 375.37738

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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)CCC#N

Isomeric SMILES

CC1=CC(=O)C(=C(O1)O)C(=O)/C=C/C2=CN(N=C2C3=CC=CC=C3)CCC#N

InChI

InChI=1S/C21H17N3O4/c1-14-12-18(26)19(21(27)28-14)17(25)9-8-16-13-24(11-5-10-22)23-20(16)15-6-3-2-4-7-15/h2-4,6-9,12-13,27H,5,11H2,1H3/b9-8+