(4-bromanyl-2-propan-2-yl-phenyl) 3-nitrobenzoate

Systemtic Name: (4-bromanyl-2-propan-2-yl-phenyl) 3-nitrobenzoate Openeye Name: (4-bromo-2-isopropyl-phenyl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (4-bromo-2-propan-2-ylphenyl) ester IUPAC Name: (4-bromo-2-propan-2-ylphenyl) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (4-bromo-2-isopropyl-phenyl) ester Formula: C16H14BrNO4 MolecularWeight: 364.19066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrNO4/c1-10(2)14-9-12(17)6-7-15(14)22-16(19)11-4-3-5-13(8-11)18(20)21/h3-10H,1-2H3