5-bromanyl-2-(2-methylpropyl)-3-nitro-4-(2-oxidanylidenepropyl)benzenecarbonitrile

Systemtic Name: 5-bromanyl-2-(2-methylpropyl)-3-nitro-4-(2-oxidanylidenepropyl)benzenecarbonitrile Openeye Name: 4-acetonyl-5-bromo-2-isobutyl-3-nitro-benzonitrile CAS Name: 5-bromo-2-(2-methylpropyl)-3-nitro-4-(2-oxopropyl)benzonitrile IUPAC Name: 5-bromo-2-(2-methylpropyl)-3-nitro-4-(2-oxopropyl)benzonitrile Traditional Name: 4-acetonyl-5-bromo-2-isobutyl-3-nitro-benzonitrile Formula: C14H15BrN2O3 MolecularWeight: 339.1845

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C(=C(C=C1C#N)Br)CC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=C(C(=C(C=C1C#N)Br)CC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C14H15BrN2O3/c1-8(2)4-11-10(7-16)6-13(15)12(5-9(3)18)14(11)17(19)20/h6,8H,4-5H2,1-3H3