5-tert-butyl-3-chloranyl-2-nitro-4-(2-oxidanylidenepropyl)benzenecarbonitrile

Systemtic Name: 5-tert-butyl-3-chloranyl-2-nitro-4-(2-oxidanylidenepropyl)benzenecarbonitrile Openeye Name: 4-acetonyl-5-tert-butyl-3-chloro-2-nitro-benzonitrile CAS Name: 5-tert-butyl-3-chloro-2-nitro-4-(2-oxopropyl)benzonitrile IUPAC Name: 5-tert-butyl-3-chloro-2-nitro-4-(2-oxopropyl)benzonitrile Traditional Name: 4-acetonyl-5-tert-butyl-3-chloro-2-nitro-benzonitrile Formula: C14H15ClN2O3 MolecularWeight: 294.7335

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=C(C=C(C(=C1Cl)[N+](=O)[O-])C#N)C(C)(C)C

Isomeric SMILES

CC(=O)CC1=C(C=C(C(=C1Cl)[N+](=O)[O-])C#N)C(C)(C)C

InChI

InChI=1S/C14H15ClN2O3/c1-8(18)5-10-11(14(2,3)4)6-9(7-16)13(12(10)15)17(19)20/h6H,5H2,1-4H3