1-[2-nitro-4-(trifluoromethyl)phenyl]-4-phenylmethoxycarbonyl-piperazine-2-carboxylic acid

Systemtic Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-phenylmethoxycarbonyl-piperazine-2-carboxylic acid Openeye Name: 4-benzyloxycarbonyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-2-carboxylic acid CAS Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-phenylmethoxycarbonyl-2-piperazinecarboxylic acid IUPAC Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid Traditional Name: 4-carbobenzoxy-1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-2-carboxylic acid Formula: C20H18F3N3O6 MolecularWeight: 453.36863

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C(=O)OCC2=CC=CC=C2)C(=O)O)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(C(CN1C(=O)OCC2=CC=CC=C2)C(=O)O)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H18F3N3O6/c21-20(22,23)14-6-7-15(16(10-14)26(30)31)25-9-8-24(11-17(25)18(27)28)19(29)32-12-13-4-2-1-3-5-13/h1-7,10,17H,8-9,11-12H2,(H,27,28)