(4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(4-chloro-3-nitro-benzoyl)benzoate CAS Name: 2-[(4-chloro-3-nitrophenyl)-oxomethyl]benzoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 2-(4-chloro-3-nitrobenzoyl)benzoate Traditional Name: 2-(4-chloro-3-nitro-benzoyl)benzoic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C27H26ClNO5 MolecularWeight: 479.95204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C)C(C)(C)C

InChI

InChI=1S/C27H26ClNO5/c1-16-12-19(27(3,4)5)13-17(2)22(16)15-34-26(31)21-9-7-6-8-20(21)25(30)18-10-11-23(28)24(14-18)29(32)33/h6-14H,15H2,1-5H3