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

Systemtic Name: 4-[3-[(3-azanyl-2-chloranyl-pyridin-4-yl)amino]propanoylamino]benzoic acid Openeye Name: 4-[3-[(3-amino-2-chloro-4-pyridyl)amino]propanoylamino]benzoic acid CAS Name: 4-[[3-[(3-amino-2-chloro-4-pyridinyl)amino]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-[3-[(3-amino-2-chloropyridin-4-yl)amino]propanoylamino]benzoic acid Traditional Name: 4-[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=C1C(=O)O)NC(=O)CCNC2=C(C(=NC=C2)Cl)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC(=O)CCNC2=C(C(=NC=C2)Cl)N

InChI

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