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

Systemtic Name: 5-bromanyl-2-(2-methylpropyl)-4-nitro-3-(2-oxidanylidenepropyl)benzenecarbonitrile Openeye Name: 3-acetonyl-5-bromo-2-isobutyl-4-nitro-benzonitrile CAS Name: 5-bromo-2-(2-methylpropyl)-4-nitro-3-(2-oxopropyl)benzonitrile IUPAC Name: 5-bromo-2-(2-methylpropyl)-4-nitro-3-(2-oxopropyl)benzonitrile Traditional Name: 3-acetonyl-5-bromo-2-isobutyl-4-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)Br)[N+](=O)[O-])CC(=O)C

Isomeric SMILES

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

InChI

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