(4-bromanyl-5-methyl-2-propan-2-yl-phenyl) 3-nitrobenzoate

Systemtic Name: (4-bromanyl-5-methyl-2-propan-2-yl-phenyl) 3-nitrobenzoate Openeye Name: (4-bromo-2-isopropyl-5-methyl-phenyl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (4-bromo-5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (4-bromo-5-methyl-2-propan-2-ylphenyl) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (4-bromo-2-isopropyl-5-methyl-phenyl) ester Formula: C17H16BrNO4 MolecularWeight: 378.21724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C(C)C)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1Br)C(C)C)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

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