(4-bromanyl-2-tert-butyl-phenyl) 3-nitrobenzoate

Systemtic Name: (4-bromanyl-2-tert-butyl-phenyl) 3-nitrobenzoate Openeye Name: (4-bromo-2-tert-butyl-phenyl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (4-bromo-2-tert-butylphenyl) ester IUPAC Name: (4-bromo-2-tert-butylphenyl) 3-nitrobenzoate Traditional Name: 3-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)14-10-12(18)7-8-15(14)23-16(20)11-5-4-6-13(9-11)19(21)22/h4-10H,1-3H3