(2,4-ditert-butylphenyl) 4-chloranyl-3-nitro-benzoate

Systemtic Name: (2,4-ditert-butylphenyl) 4-chloranyl-3-nitro-benzoate Openeye Name: (2,4-ditert-butylphenyl) 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid (2,4-ditert-butylphenyl) ester IUPAC Name: (2,4-ditert-butylphenyl) 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid (2,4-ditert-butylphenyl) ester Formula: C21H24ClNO4 MolecularWeight: 389.87256

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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-])C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClNO4/c1-20(2,3)14-8-10-18(15(12-14)21(4,5)6)27-19(24)13-7-9-16(22)17(11-13)23(25)26/h7-12H,1-6H3