N-[3-(3-bromanylpropoxy)-4-chloranyl-1-oxidanylidene-isochromen-7-yl]-2-phenyl-ethanamide

Systemtic Name: N-[3-(3-bromanylpropoxy)-4-chloranyl-1-oxidanylidene-isochromen-7-yl]-2-phenyl-ethanamide Openeye Name: N-[3-(3-bromopropoxy)-4-chloro-1-oxo-isochromen-7-yl]-2-phenyl-acetamide CAS Name: N-[3-(3-bromopropoxy)-4-chloro-1-oxo-2-benzopyran-7-yl]-2-phenylacetamide IUPAC Name: N-[3-(3-bromopropoxy)-4-chloro-1-oxoisochromen-7-yl]-2-phenylacetamide Traditional Name: N-[3-(3-bromopropoxy)-4-chloro-1-keto-isochromen-7-yl]-2-phenyl-acetamide Formula: C20H17BrClNO4 MolecularWeight: 450.71028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC2=CC3=C(C=C2)C(=C(OC3=O)OCCCBr)Cl

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NC2=CC3=C(C=C2)C(=C(OC3=O)OCCCBr)Cl

InChI

InChI=1S/C20H17BrClNO4/c21-9-4-10-26-20-18(22)15-8-7-14(12-16(15)19(25)27-20)23-17(24)11-13-5-2-1-3-6-13/h1-3,5-8,12H,4,9-11H2,(H,23,24)