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

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

Isomeric SMILES

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

InChI

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