3-azanyl-6-[(4-azanyl-2-carboxy-3-chloranyl-phenyl)methyl]-2-chloranyl-benzoic acid

Systemtic Name: 3-azanyl-6-[(4-azanyl-2-carboxy-3-chloranyl-phenyl)methyl]-2-chloranyl-benzoic acid Openeye Name: 3-amino-6-[(4-amino-2-carboxy-3-chloro-phenyl)methyl]-2-chloro-benzoic acid CAS Name: 3-amino-6-[(4-amino-2-carboxy-3-chlorophenyl)methyl]-2-chlorobenzoic acid IUPAC Name: 3-amino-6-[(4-amino-2-carboxy-3-chlorophenyl)methyl]-2-chlorobenzoic acid Traditional Name: 3-amino-6-(4-amino-2-carboxy-3-chloro-benzyl)-2-chloro-benzoic acid Formula: C15H12Cl2N2O4 MolecularWeight: 355.17278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1CC2=C(C(=C(C=C2)N)Cl)C(=O)O)C(=O)O)Cl)N

Isomeric SMILES

C1=CC(=C(C(=C1CC2=C(C(=C(C=C2)N)Cl)C(=O)O)C(=O)O)Cl)N

InChI

InChI=1S/C15H12Cl2N2O4/c16-12-8(18)3-1-6(10(12)14(20)21)5-7-2-4-9(19)13(17)11(7)15(22)23/h1-4H,5,18-19H2,(H,20,21)(H,22,23)