(E)-3-[3-(2,6-dimethyl-4-oxidanylidene-5-phenyl-pyrimidin-1-yl)phenyl]prop-2-enoate

Systemtic Name: (E)-3-[3-(2,6-dimethyl-4-oxidanylidene-5-phenyl-pyrimidin-1-yl)phenyl]prop-2-enoate Openeye Name: (E)-3-[3-(2,6-dimethyl-4-oxo-5-phenyl-pyrimidin-1-yl)phenyl]prop-2-enoate CAS Name: (E)-3-[3-(2,6-dimethyl-4-oxo-5-phenyl-1-pyrimidinyl)phenyl]-2-propenoate IUPAC Name: (E)-3-[3-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)phenyl]prop-2-enoate Traditional Name: (E)-3-[3-(4-keto-2,6-dimethyl-5-phenyl-pyrimidin-1-yl)phenyl]acrylate Formula: C21H17N2O3- MolecularWeight: 345.37128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1C2=CC=CC(=C2)C=CC(=O)[O-])C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N=C(N1C2=CC=CC(=C2)/C=C/C(=O)[O-])C)C3=CC=CC=C3

InChI

InChI=1S/C21H18N2O3/c1-14-20(17-8-4-3-5-9-17)21(26)22-15(2)23(14)18-10-6-7-16(13-18)11-12-19(24)25/h3-13H,1-2H3,(H,24,25)/p-1/b12-11+