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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=C(C(=C(C(=C1)C#N)[N+](=O)[O-])C(C)(C)C)Cl

Isomeric SMILES

CC(=O)CC1=C(C(=C(C(=C1)C#N)[N+](=O)[O-])C(C)(C)C)Cl

InChI

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