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

Systemtic Name: tert-butyl 4-chloranyl-3-nitro-benzoate Openeye Name: tert-butyl 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid tert-butyl ester Formula: C11H12ClNO4 MolecularWeight: 257.67028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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