(4-tert-butylphenyl) 4-chloranyl-3-nitro-benzoate

Systemtic Name: (4-tert-butylphenyl) 4-chloranyl-3-nitro-benzoate Openeye Name: (4-tert-butylphenyl) 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid (4-tert-butylphenyl) ester IUPAC Name: (4-tert-butylphenyl) 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-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=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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