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

Systemtic Name: methyl 4-[[3-(2-bromoethyloxy)-4-chloranyl-1-oxidanylidene-isochromen-7-yl]amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[3-(2-bromoethoxy)-4-chloro-1-oxo-isochromen-7-yl]amino]-4-oxo-butanoate CAS Name: 4-[[3-(2-bromoethoxy)-4-chloro-1-oxo-2-benzopyran-7-yl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[3-(2-bromoethoxy)-4-chloro-1-oxoisochromen-7-yl]amino]-4-oxobutanoate Traditional Name: 4-[[3-(2-bromoethoxy)-4-chloro-1-keto-isochromen-7-yl]amino]-4-keto-butyric acid methyl ester Formula: C16H15BrClNO6 MolecularWeight: 432.6504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrClNO6/c1-23-13(21)5-4-12(20)19-9-2-3-10-11(8-9)15(22)25-16(14(10)18)24-7-6-17/h2-3,8H,4-7H2,1H3,(H,19,20)