3-[3-[(3-azanyl-2-chloranyl-pyridin-4-yl)amino]propanoylamino]benzoic acid

Systemtic Name: 3-[3-[(3-azanyl-2-chloranyl-pyridin-4-yl)amino]propanoylamino]benzoic acid Openeye Name: 3-[3-[(3-amino-2-chloro-4-pyridyl)amino]propanoylamino]benzoic acid CAS Name: 3-[[3-[(3-amino-2-chloro-4-pyridinyl)amino]-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[3-[(3-amino-2-chloropyridin-4-yl)amino]propanoylamino]benzoic acid Traditional Name: 3-[3-[(3-amino-2-chloro-4-pyridyl)amino]propanoylamino]benzoic acid Formula: C15H15ClN4O3 MolecularWeight: 334.7576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCNC2=C(C(=NC=C2)Cl)N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCNC2=C(C(=NC=C2)Cl)N)C(=O)O

InChI

InChI=1S/C15H15ClN4O3/c16-14-13(17)11(4-6-19-14)18-7-5-12(21)20-10-3-1-2-9(8-10)15(22)23/h1-4,6,8H,5,7,17H2,(H,18,19)(H,20,21)(H,22,23)