tert-butyl N-[3-(2-bromoethyloxy)-4-chloranyl-1-oxidanylidene-isochromen-7-yl]-N-phenyl-carbamate

Systemtic Name: tert-butyl N-[3-(2-bromoethyloxy)-4-chloranyl-1-oxidanylidene-isochromen-7-yl]-N-phenyl-carbamate Openeye Name: tert-butyl N-[3-(2-bromoethoxy)-4-chloro-1-oxo-isochromen-7-yl]-N-phenyl-carbamate CAS Name: N-[3-(2-bromoethoxy)-4-chloro-1-oxo-2-benzopyran-7-yl]-N-phenylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(2-bromoethoxy)-4-chloro-1-oxoisochromen-7-yl]-N-phenylcarbamate Traditional Name: N-[3-(2-bromoethoxy)-4-chloro-1-keto-isochromen-7-yl]-N-phenyl-carbamic acid tert-butyl ester Formula: C22H21BrClNO5 MolecularWeight: 494.76284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C1=CC=CC=C1)C2=CC3=C(C=C2)C(=C(OC3=O)OCCBr)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N(C1=CC=CC=C1)C2=CC3=C(C=C2)C(=C(OC3=O)OCCBr)Cl

InChI

InChI=1S/C22H21BrClNO5/c1-22(2,3)30-21(27)25(14-7-5-4-6-8-14)15-9-10-16-17(13-15)19(26)29-20(18(16)24)28-12-11-23/h4-10,13H,11-12H2,1-3H3