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

Systemtic Name: 4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-2-bromanyl-5-methyl-benzenecarbonitrile Openeye Name: 2-bromo-4-[(1,3-dioxoisoindolin-2-yl)methyl]-5-methyl-benzonitrile CAS Name: 2-bromo-4-[(1,3-dioxo-2-isoindolyl)methyl]-5-methylbenzonitrile IUPAC Name: 2-bromo-4-[(1,3-dioxoisoindol-2-yl)methyl]-5-methylbenzonitrile Traditional Name: 2-bromo-5-methyl-4-(phthalimidomethyl)benzonitrile Formula: C17H11BrN2O2 MolecularWeight: 355.18544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C#N)Br)CN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=C(C=C(C(=C1)C#N)Br)CN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C17H11BrN2O2/c1-10-6-11(8-19)15(18)7-12(10)9-20-16(21)13-4-2-3-5-14(13)17(20)22/h2-7H,9H2,1H3