4-[3-[(2-chloranylpyridin-4-yl)amino]propanoylamino]benzoic acid

Systemtic Name: 4-[3-[(2-chloranylpyridin-4-yl)amino]propanoylamino]benzoic acid Openeye Name: 4-[3-[(2-chloro-4-pyridyl)amino]propanoylamino]benzoic acid CAS Name: 4-[[3-[(2-chloro-4-pyridinyl)amino]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-[3-[(2-chloropyridin-4-yl)amino]propanoylamino]benzoic acid Traditional Name: 4-[3-[(2-chloro-4-pyridyl)amino]propanoylamino]benzoic acid Formula: C15H14ClN3O3 MolecularWeight: 319.74296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14ClN3O3/c16-13-9-12(5-7-18-13)17-8-6-14(20)19-11-3-1-10(2-4-11)15(21)22/h1-5,7,9H,6,8H2,(H,17,18)(H,19,20)(H,21,22)