4-[(E)-2-(4-oxidanylidene-2-propan-2-yl-1H-pyrimidin-6-yl)ethenyl]benzoate

Systemtic Name: 4-[(E)-2-(4-oxidanylidene-2-propan-2-yl-1H-pyrimidin-6-yl)ethenyl]benzoate Openeye Name: 4-[(E)-2-(2-isopropyl-4-oxo-1H-pyrimidin-6-yl)vinyl]benzoate CAS Name: 4-[(E)-2-(4-oxo-2-propan-2-yl-1H-pyrimidin-6-yl)ethenyl]benzoate IUPAC Name: 4-[(E)-2-(4-oxo-2-propan-2-yl-1H-pyrimidin-6-yl)ethenyl]benzoate Traditional Name: 4-[(E)-2-(2-isopropyl-4-keto-1H-pyrimidin-6-yl)vinyl]benzoate Formula: C16H15N2O3- MolecularWeight: 283.3019

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=O)C=C(N1)C=CC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CC(C)C1=NC(=O)C=C(N1)/C=C/C2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C16H16N2O3/c1-10(2)15-17-13(9-14(19)18-15)8-5-11-3-6-12(7-4-11)16(20)21/h3-10H,1-2H3,(H,20,21)(H,17,18,19)/p-1/b8-5+