(4-tert-butylphenyl) 2-chloranyl-5-nitro-benzoate

Systemtic Name: (4-tert-butylphenyl) 2-chloranyl-5-nitro-benzoate Openeye Name: (4-tert-butylphenyl) 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid (4-tert-butylphenyl) ester IUPAC Name: (4-tert-butylphenyl) 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid (4-tert-butylphenyl) ester Formula: C17H16ClNO4 MolecularWeight: 333.76624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H16ClNO4/c1-17(2,3)11-4-7-13(8-5-11)23-16(20)14-10-12(19(21)22)6-9-15(14)18/h4-10H,1-3H3