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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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