(E)-2-benzamido-3-[2-(4-chlorophenyl)-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]prop-2-enoic acid

Systemtic Name: (E)-2-benzamido-3-[2-(4-chlorophenyl)-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]prop-2-enoic acid Openeye Name: (E)-2-benzamido-3-[2-(4-chlorophenyl)-6-methyl-4-oxo-1H-pyrimidin-5-yl]prop-2-enoic acid CAS Name: (E)-2-benzamido-3-[2-(4-chlorophenyl)-6-methyl-4-oxo-1H-pyrimidin-5-yl]-2-propenoic acid IUPAC Name: (E)-2-benzamido-3-[2-(4-chlorophenyl)-6-methyl-4-oxo-1H-pyrimidin-5-yl]prop-2-enoic acid Traditional Name: (E)-2-benzamido-3-[2-(4-chlorophenyl)-4-keto-6-methyl-1H-pyrimidin-5-yl]acrylic acid Formula: C21H16ClN3O4 MolecularWeight: 409.82244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)C2=CC=C(C=C2)Cl)C=C(C(=O)O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)C2=CC=C(C=C2)Cl)/C=C(\C(=O)O)/NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H16ClN3O4/c1-12-16(20(27)25-18(23-12)13-7-9-15(22)10-8-13)11-17(21(28)29)24-19(26)14-5-3-2-4-6-14/h2-11H,1H3,(H,24,26)(H,28,29)(H,23,25,27)/b17-11+