(4-tert-butyl-2-methyl-phenyl) 2-chloranyl-5-nitro-benzoate

Systemtic Name: (4-tert-butyl-2-methyl-phenyl) 2-chloranyl-5-nitro-benzoate Openeye Name: (4-tert-butyl-2-methyl-phenyl) 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid (4-tert-butyl-2-methylphenyl) ester IUPAC Name: (4-tert-butyl-2-methylphenyl) 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid (4-tert-butyl-2-methyl-phenyl) ester Formula: C18H18ClNO4 MolecularWeight: 347.79282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H18ClNO4/c1-11-9-12(18(2,3)4)5-8-16(11)24-17(21)14-10-13(20(22)23)6-7-15(14)19/h5-10H,1-4H3