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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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