2-chloranyl-4-[(3-chlorophenyl)methyl-(3-oxidanylidene-3-pyrimidin-2-yl-propanoyl)amino]benzoic acid

Systemtic Name: 2-chloranyl-4-[(3-chlorophenyl)methyl-(3-oxidanylidene-3-pyrimidin-2-yl-propanoyl)amino]benzoic acid Openeye Name: 2-chloro-4-[(3-chlorophenyl)methyl-(3-oxo-3-pyrimidin-2-yl-propanoyl)amino]benzoic acid CAS Name: 2-chloro-4-[(3-chlorophenyl)methyl-[1,3-dioxo-3-(2-pyrimidinyl)propyl]amino]benzoic acid IUPAC Name: 2-chloro-4-[(3-chlorophenyl)methyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]benzoic acid Traditional Name: 2-chloro-4-[(3-chlorobenzyl)-[3-keto-3-(2-pyrimidyl)propanoyl]amino]benzoic acid Formula: C21H15Cl2N3O4 MolecularWeight: 444.2675

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CN(C2=CC(=C(C=C2)C(=O)O)Cl)C(=O)CC(=O)C3=NC=CC=N3

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CN(C2=CC(=C(C=C2)C(=O)O)Cl)C(=O)CC(=O)C3=NC=CC=N3

InChI

InChI=1S/C21H15Cl2N3O4/c22-14-4-1-3-13(9-14)12-26(15-5-6-16(21(29)30)17(23)10-15)19(28)11-18(27)20-24-7-2-8-25-20/h1-10H,11-12H2,(H,29,30)