3-methylbutyl 4-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate

Systemtic Name: 3-methylbutyl 4-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: isopentyl 4-(5-bromo-1,3-dioxo-isoindolin-2-yl)benzoate CAS Name: 4-(5-bromo-1,3-dioxo-2-isoindolyl)benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-(5-bromo-1,3-dioxoisoindol-2-yl)benzoate Traditional Name: 4-(5-bromo-1,3-diketo-isoindolin-2-yl)benzoic acid isoamyl ester Formula: C20H18BrNO4 MolecularWeight: 416.26522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

CC(C)CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C20H18BrNO4/c1-12(2)9-10-26-20(25)13-3-6-15(7-4-13)22-18(23)16-8-5-14(21)11-17(16)19(22)24/h3-8,11-12H,9-10H2,1-2H3