2-bromanyl-3-(4-cyclohexyl-3-nitro-phenyl)propanoic acid

Systemtic Name: 2-bromanyl-3-(4-cyclohexyl-3-nitro-phenyl)propanoic acid Openeye Name: 2-bromo-3-(4-cyclohexyl-3-nitro-phenyl)propanoic acid CAS Name: 2-bromo-3-(4-cyclohexyl-3-nitrophenyl)propanoic acid IUPAC Name: 2-bromo-3-(4-cyclohexyl-3-nitrophenyl)propanoic acid Traditional Name: 2-bromo-3-(4-cyclohexyl-3-nitro-phenyl)propionic acid Formula: C15H18BrNO4 MolecularWeight: 356.21172

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C=C(C=C2)CC(C(=O)O)Br)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C2=C(C=C(C=C2)CC(C(=O)O)Br)[N+](=O)[O-]

InChI

InChI=1S/C15H18BrNO4/c16-13(15(18)19)8-10-6-7-12(14(9-10)17(20)21)11-4-2-1-3-5-11/h6-7,9,11,13H,1-5,8H2,(H,18,19)