2-bromanyl-6-(2-methylpropyl)-3-nitro-5-(2-oxidanylidenepropyl)benzenecarbonitrile

Systemtic Name: 2-bromanyl-6-(2-methylpropyl)-3-nitro-5-(2-oxidanylidenepropyl)benzenecarbonitrile Openeye Name: 5-acetonyl-2-bromo-6-isobutyl-3-nitro-benzonitrile CAS Name: 2-bromo-6-(2-methylpropyl)-3-nitro-5-(2-oxopropyl)benzonitrile IUPAC Name: 2-bromo-6-(2-methylpropyl)-3-nitro-5-(2-oxopropyl)benzonitrile Traditional Name: 5-acetonyl-2-bromo-6-isobutyl-3-nitro-benzonitrile Formula: C14H15BrN2O3 MolecularWeight: 339.1845

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C(=C(C=C1CC(=O)C)[N+](=O)[O-])Br)C#N

Isomeric SMILES

CC(C)CC1=C(C(=C(C=C1CC(=O)C)[N+](=O)[O-])Br)C#N

InChI

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