3-bromanyl-2-butyl-4,6-dinitro-5-(2-oxidanylidenepropyl)benzenecarbonitrile

Systemtic Name: 3-bromanyl-2-butyl-4,6-dinitro-5-(2-oxidanylidenepropyl)benzenecarbonitrile Openeye Name: 5-acetonyl-3-bromo-2-butyl-4,6-dinitro-benzonitrile CAS Name: 3-bromo-2-butyl-4,6-dinitro-5-(2-oxopropyl)benzonitrile IUPAC Name: 3-bromo-2-butyl-4,6-dinitro-5-(2-oxopropyl)benzonitrile Traditional Name: 5-acetonyl-3-bromo-2-butyl-4,6-dinitro-benzonitrile Formula: C14H14BrN3O5 MolecularWeight: 384.18206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C(=C1Br)[N+](=O)[O-])CC(=O)C)[N+](=O)[O-])C#N

Isomeric SMILES

CCCCC1=C(C(=C(C(=C1Br)[N+](=O)[O-])CC(=O)C)[N+](=O)[O-])C#N

InChI

InChI=1S/C14H14BrN3O5/c1-3-4-5-9-11(7-16)13(17(20)21)10(6-8(2)19)14(12(9)15)18(22)23/h3-6H2,1-2H3