[2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 4-(3-bromanylphenoxy)butanoate

Systemtic Name: [2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 4-(3-bromanylphenoxy)butanoate Openeye Name: [2-[(5-chloro-2-pyridyl)amino]-2-oxo-ethyl] 4-(3-bromophenoxy)butanoate CAS Name: 4-(3-bromophenoxy)butanoic acid [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl] 4-(3-bromophenoxy)butanoate Traditional Name: 4-(3-bromophenoxy)butyric acid [2-[(5-chloro-2-pyridyl)amino]-2-keto-ethyl] ester Formula: C17H16BrClN2O4 MolecularWeight: 427.67694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)OCCCC(=O)OCC(=O)NC2=NC=C(C=C2)Cl

Isomeric SMILES

C1=CC(=CC(=C1)Br)OCCCC(=O)OCC(=O)NC2=NC=C(C=C2)Cl

InChI

InChI=1S/C17H16BrClN2O4/c18-12-3-1-4-14(9-12)24-8-2-5-17(23)25-11-16(22)21-15-7-6-13(19)10-20-15/h1,3-4,6-7,9-10H,2,5,8,11H2,(H,20,21,22)