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

Systemtic Name: 2-chloranyl-4-[(3,4-dichlorophenyl)methyl-(3-oxidanylidene-3-pyrimidin-2-yl-propanoyl)amino]benzoic acid Openeye Name: 2-chloro-4-[(3,4-dichlorophenyl)methyl-(3-oxo-3-pyrimidin-2-yl-propanoyl)amino]benzoic acid CAS Name: 2-chloro-4-[(3,4-dichlorophenyl)methyl-[1,3-dioxo-3-(2-pyrimidinyl)propyl]amino]benzoic acid IUPAC Name: 2-chloro-4-[(3,4-dichlorophenyl)methyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]benzoic acid Traditional Name: 2-chloro-4-[(3,4-dichlorobenzyl)-[3-keto-3-(2-pyrimidyl)propanoyl]amino]benzoic acid Formula: C21H14Cl3N3O4 MolecularWeight: 478.71256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)C(=O)CC(=O)N(CC2=CC(=C(C=C2)Cl)Cl)C3=CC(=C(C=C3)C(=O)O)Cl

Isomeric SMILES

C1=CN=C(N=C1)C(=O)CC(=O)N(CC2=CC(=C(C=C2)Cl)Cl)C3=CC(=C(C=C3)C(=O)O)Cl

InChI

InChI=1S/C21H14Cl3N3O4/c22-15-5-2-12(8-17(15)24)11-27(13-3-4-14(21(30)31)16(23)9-13)19(29)10-18(28)20-25-6-1-7-26-20/h1-9H,10-11H2,(H,30,31)