(4-bromanyl-2-tert-butyl-phenyl) 2-nitrobenzoate

Systemtic Name: (4-bromanyl-2-tert-butyl-phenyl) 2-nitrobenzoate Openeye Name: (4-bromo-2-tert-butyl-phenyl) 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid (4-bromo-2-tert-butylphenyl) ester IUPAC Name: (4-bromo-2-tert-butylphenyl) 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid (4-bromo-2-tert-butyl-phenyl) ester Formula: C17H16BrNO4 MolecularWeight: 378.21724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrNO4/c1-17(2,3)13-10-11(18)8-9-15(13)23-16(20)12-6-4-5-7-14(12)19(21)22/h4-10H,1-3H3