2-[6-[(E)-2-(4-chlorophenyl)prop-1-enyl]-2-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoic acid

Systemtic Name: 2-[6-[(E)-2-(4-chlorophenyl)prop-1-enyl]-2-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[6-[(E)-2-(4-chlorophenyl)prop-1-enyl]-2-methyl-4-oxo-1H-pyrimidin-5-yl]acetic acid CAS Name: 2-[6-[(E)-2-(4-chlorophenyl)prop-1-enyl]-2-methyl-4-oxo-1H-pyrimidin-5-yl]acetic acid IUPAC Name: 2-[6-[(E)-2-(4-chlorophenyl)prop-1-enyl]-2-methyl-4-oxo-1H-pyrimidin-5-yl]acetic acid Traditional Name: 2-[6-[(E)-2-(4-chlorophenyl)prop-1-enyl]-4-keto-2-methyl-1H-pyrimidin-5-yl]acetic acid Formula: C16H15ClN2O3 MolecularWeight: 318.7549

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C(=C(N1)C=C(C)C2=CC=C(C=C2)Cl)CC(=O)O

Isomeric SMILES

CC1=NC(=O)C(=C(N1)/C=C(\C)/C2=CC=C(C=C2)Cl)CC(=O)O

InChI

InChI=1S/C16H15ClN2O3/c1-9(11-3-5-12(17)6-4-11)7-14-13(8-15(20)21)16(22)19-10(2)18-14/h3-7H,8H2,1-2H3,(H,20,21)(H,18,19,22)/b9-7+