(2,3,4,5,6-pentamethylphenyl)methyl 4-(bromomethyl)-3-nitro-benzoate

Systemtic Name: (2,3,4,5,6-pentamethylphenyl)methyl 4-(bromomethyl)-3-nitro-benzoate Openeye Name: (2,3,4,5,6-pentamethylphenyl)methyl 4-(bromomethyl)-3-nitro-benzoate CAS Name: 4-(bromomethyl)-3-nitrobenzoic acid (2,3,4,5,6-pentamethylphenyl)methyl ester IUPAC Name: (2,3,4,5,6-pentamethylphenyl)methyl 4-(bromomethyl)-3-nitrobenzoate Traditional Name: 4-(bromomethyl)-3-nitro-benzoic acid (2,3,4,5,6-pentamethylbenzyl) ester Formula: C20H22BrNO4 MolecularWeight: 420.29698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)COC(=O)C2=CC(=C(C=C2)CBr)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)COC(=O)C2=CC(=C(C=C2)CBr)[N+](=O)[O-])C)C

InChI

InChI=1S/C20H22BrNO4/c1-11-12(2)14(4)18(15(5)13(11)3)10-26-20(23)16-6-7-17(9-21)19(8-16)22(24)25/h6-8H,9-10H2,1-5H3