3-azanyl-2-[(4-carboxyphenyl)methylamino]-6-chloranyl-benzoic acid

Systemtic Name: 3-azanyl-2-[(4-carboxyphenyl)methylamino]-6-chloranyl-benzoic acid Openeye Name: 3-amino-2-[(4-carboxyphenyl)methylamino]-6-chloro-benzoic acid CAS Name: 3-amino-2-[(4-carboxyphenyl)methylamino]-6-chlorobenzoic acid IUPAC Name: 3-amino-2-[(4-carboxyphenyl)methylamino]-6-chlorobenzoic acid Traditional Name: 3-amino-2-[(4-carboxybenzyl)amino]-6-chloro-benzoic acid Formula: C15H13ClN2O4 MolecularWeight: 320.72772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=C(C=CC(=C2C(=O)O)Cl)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC2=C(C=CC(=C2C(=O)O)Cl)N)C(=O)O

InChI

InChI=1S/C15H13ClN2O4/c16-10-5-6-11(17)13(12(10)15(21)22)18-7-8-1-3-9(4-2-8)14(19)20/h1-6,18H,7,17H2,(H,19,20)(H,21,22)