(4-tert-butyl-2-methyl-phenyl) 4-chloranyl-3-nitro-benzoate

Systemtic Name: (4-tert-butyl-2-methyl-phenyl) 4-chloranyl-3-nitro-benzoate Openeye Name: (4-tert-butyl-2-methyl-phenyl) 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid (4-tert-butyl-2-methylphenyl) ester IUPAC Name: (4-tert-butyl-2-methylphenyl) 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-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=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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