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

Systemtic Name: 3-[(E)-3-[3-(4-ethylphenyl)-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoyl]-6-methyl-4-oxidanylidene-pyran-2-olate Openeye Name: 3-[(E)-3-[1-benzyl-3-(4-ethylphenyl)pyrazol-4-yl]prop-2-enoyl]-6-methyl-4-oxo-pyran-2-olate CAS Name: 3-[(E)-3-[3-(4-ethylphenyl)-1-(phenylmethyl)-4-pyrazolyl]-1-oxoprop-2-enyl]-6-methyl-4-oxo-2-pyranolate IUPAC Name: 3-[(E)-3-[1-benzyl-3-(4-ethylphenyl)pyrazol-4-yl]prop-2-enoyl]-6-methyl-4-oxopyran-2-olate Traditional Name: 3-[(E)-3-[1-benzyl-3-(4-ethylphenyl)pyrazol-4-yl]acryloyl]-4-keto-6-methyl-pyran-2-olate Formula: C27H23N2O4- MolecularWeight: 439.48252

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)C3=C(OC(=CC3=O)C)[O-])CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)C3=C(OC(=CC3=O)C)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C27H24N2O4/c1-3-19-9-11-21(12-10-19)26-22(17-29(28-26)16-20-7-5-4-6-8-20)13-14-23(30)25-24(31)15-18(2)33-27(25)32/h4-15,17,32H,3,16H2,1-2H3/p-1/b14-13+