2-[2-bromanyl-7-chloranyl-3-[(3-phenoxyphenyl)methyl]-1-benzofuran-4-yl]ethanoate; 2-methylpropanenitrile

Systemtic Name: 2-[2-bromanyl-7-chloranyl-3-[(3-phenoxyphenyl)methyl]-1-benzofuran-4-yl]ethanoate; 2-methylpropanenitrile Openeye Name: 2-[2-bromo-7-chloro-3-[(3-phenoxyphenyl)methyl]benzofuran-4-yl]acetate; 2-methylpropanenitrile CAS Name: 2-[2-bromo-7-chloro-3-[(3-phenoxyphenyl)methyl]-4-benzofuranyl]acetate; 2-methylpropanenitrile IUPAC Name: 2-[2-bromo-7-chloro-3-[(3-phenoxyphenyl)methyl]-1-benzofuran-4-yl]acetate; 2-methylpropanenitrile Traditional Name: 2-[2-bromo-7-chloro-3-(3-phenoxybenzyl)benzofuran-4-yl]acetate; isobutyronitrile Formula: C27H22BrClNO4- MolecularWeight: 539.82488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C#N.C1=CC=C(C=C1)OC2=CC=CC(=C2)CC3=C(OC4=C(C=CC(=C34)CC(=O)[O-])Cl)Br

Isomeric SMILES

CC(C)C#N.C1=CC=C(C=C1)OC2=CC=CC(=C2)CC3=C(OC4=C(C=CC(=C34)CC(=O)[O-])Cl)Br

InChI

InChI=1S/C23H16BrClO4.C4H7N/c24-23-18(21-15(13-20(26)27)9-10-19(25)22(21)29-23)12-14-5-4-8-17(11-14)28-16-6-2-1-3-7-16;1-4(2)3-5/h1-11H,12-13H2,(H,26,27);4H,1-2H3/p-1