2-tert-butyl-4-chloranyl-3-nitro-benzoate

Systemtic Name: 2-tert-butyl-4-chloranyl-3-nitro-benzoate Openeye Name: 2-tert-butyl-4-chloro-3-nitro-benzoate CAS Name: 2-tert-butyl-4-chloro-3-nitrobenzoate IUPAC Name: 2-tert-butyl-4-chloro-3-nitrobenzoate Traditional Name: 2-tert-butyl-4-chloro-3-nitro-benzoate Formula: C11H11ClNO4- MolecularWeight: 256.66234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12ClNO4/c1-11(2,3)8-6(10(14)15)4-5-7(12)9(8)13(16)17/h4-5H,1-3H3,(H,14,15)/p-1