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

Systemtic Name: (phenylmethyl) 4-[[3-(2-bromoethyloxy)-4-chloranyl-1-oxidanylidene-isochromen-7-yl]amino]-4-oxidanylidene-butanoate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C22H19BrClNO6 MolecularWeight: 508.74636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCC(=O)NC2=CC3=C(C=C2)C(=C(OC3=O)OCCBr)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCC(=O)NC2=CC3=C(C=C2)C(=C(OC3=O)OCCBr)Cl

InChI

InChI=1S/C22H19BrClNO6/c23-10-11-29-22-20(24)16-7-6-15(12-17(16)21(28)31-22)25-18(26)8-9-19(27)30-13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,25,26)