(4-tert-butylphenyl)methyl 2-chloranyl-5-nitro-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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