methyl 5-[[3-(2-bromoethyloxy)-4-chloranyl-1-oxidanylidene-isochromen-7-yl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: methyl 5-[[3-(2-bromoethyloxy)-4-chloranyl-1-oxidanylidene-isochromen-7-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: methyl 5-[[3-(2-bromoethoxy)-4-chloro-1-oxo-isochromen-7-yl]amino]-5-oxo-pentanoate CAS Name: 5-[[3-(2-bromoethoxy)-4-chloro-1-oxo-2-benzopyran-7-yl]amino]-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-[[3-(2-bromoethoxy)-4-chloro-1-oxoisochromen-7-yl]amino]-5-oxopentanoate Traditional Name: 5-[[3-(2-bromoethoxy)-4-chloro-1-keto-isochromen-7-yl]amino]-5-keto-valeric acid methyl ester Formula: C17H17BrClNO6 MolecularWeight: 446.67698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC(=O)NC1=CC2=C(C=C1)C(=C(OC2=O)OCCBr)Cl

Isomeric SMILES

COC(=O)CCCC(=O)NC1=CC2=C(C=C1)C(=C(OC2=O)OCCBr)Cl

InChI

InChI=1S/C17H17BrClNO6/c1-24-14(22)4-2-3-13(21)20-10-5-6-11-12(9-10)16(23)26-17(15(11)19)25-8-7-18/h5-6,9H,2-4,7-8H2,1H3,(H,20,21)