(2-chloranyl-5-nitro-phenyl)methyl 4-tert-butylbenzoate

Systemtic Name: (2-chloranyl-5-nitro-phenyl)methyl 4-tert-butylbenzoate Openeye Name: (2-chloro-5-nitro-phenyl)methyl 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid (2-chloro-5-nitrophenyl)methyl ester IUPAC Name: (2-chloro-5-nitrophenyl)methyl 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid (2-chloro-5-nitro-benzyl) ester Formula: C18H18ClNO4 MolecularWeight: 347.79282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OCC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OCC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H18ClNO4/c1-18(2,3)14-6-4-12(5-7-14)17(21)24-11-13-10-15(20(22)23)8-9-16(13)19/h4-10H,11H2,1-3H3