2-[3-azanyl-1-(6-bromanylpyridin-3-yl)propoxy]-4-chloranyl-benzenecarbonitrile; ethanedioic acid

Systemtic Name: 2-[3-azanyl-1-(6-bromanylpyridin-3-yl)propoxy]-4-chloranyl-benzenecarbonitrile; ethanedioic acid Openeye Name: 2-[3-amino-1-(6-bromo-3-pyridyl)propoxy]-4-chloro-benzonitrile; oxalic acid CAS Name: 2-[3-amino-1-(6-bromo-3-pyridinyl)propoxy]-4-chlorobenzonitrile; oxalic acid IUPAC Name: 2-[3-amino-1-(6-bromopyridin-3-yl)propoxy]-4-chlorobenzonitrile; oxalic acid Traditional Name: 2-[3-amino-1-(6-bromo-3-pyridyl)propoxy]-4-chloro-benzonitrile; oxalic acid Formula: C17H15BrClN3O5 MolecularWeight: 456.6751

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)OC(CCN)C2=CN=C(C=C2)Br)C#N.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC(=C(C=C1Cl)OC(CCN)C2=CN=C(C=C2)Br)C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H13BrClN3O.C2H2O4/c16-15-4-2-11(9-20-15)13(5-6-18)21-14-7-12(17)3-1-10(14)8-19;3-1(4)2(5)6/h1-4,7,9,13H,5-6,18H2;(H,3,4)(H,5,6)