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

Systemtic Name: 6-bromanyl-2-(2-methylpropyl)-3-nitro-4-(2-oxidanylidenepropyl)benzenecarbonitrile Openeye Name: 4-acetonyl-6-bromo-2-isobutyl-3-nitro-benzonitrile CAS Name: 6-bromo-2-(2-methylpropyl)-3-nitro-4-(2-oxopropyl)benzonitrile IUPAC Name: 6-bromo-2-(2-methylpropyl)-3-nitro-4-(2-oxopropyl)benzonitrile Traditional Name: 4-acetonyl-6-bromo-2-isobutyl-3-nitro-benzonitrile Formula: C14H15BrN2O3 MolecularWeight: 339.1845

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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