2-[[5-chloranyl-3-[(2-chloranyl-4-nitro-phenyl)carbamoyl]-2-oxidanyl-phenyl]methylamino]ethanoic acid

Systemtic Name: 2-[[5-chloranyl-3-[(2-chloranyl-4-nitro-phenyl)carbamoyl]-2-oxidanyl-phenyl]methylamino]ethanoic acid Openeye Name: 2-[[5-chloro-3-[(2-chloro-4-nitro-phenyl)carbamoyl]-2-hydroxy-phenyl]methylamino]acetic acid CAS Name: 2-[[5-chloro-3-[(2-chloro-4-nitroanilino)-oxomethyl]-2-hydroxyphenyl]methylamino]acetic acid IUPAC Name: 2-[[5-chloro-3-[(2-chloro-4-nitrophenyl)carbamoyl]-2-hydroxyphenyl]methylamino]acetic acid Traditional Name: 2-[[5-chloro-3-[(2-chloro-4-nitro-phenyl)carbamoyl]-2-hydroxy-benzyl]amino]acetic acid Formula: C16H13Cl2N3O6 MolecularWeight: 414.19692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)C2=CC(=CC(=C2O)CNCC(=O)O)Cl

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)C2=CC(=CC(=C2O)CNCC(=O)O)Cl

InChI

InChI=1S/C16H13Cl2N3O6/c17-9-3-8(6-19-7-14(22)23)15(24)11(4-9)16(25)20-13-2-1-10(21(26)27)5-12(13)18/h1-5,19,24H,6-7H2,(H,20,25)(H,22,23)