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

Systemtic Name: 1-[4-(fluoranylmethyl)-2-nitro-phenyl]-4-phenylmethoxycarbonyl-piperazine-2-carboxylic acid Openeye Name: 4-benzyloxycarbonyl-1-[4-(fluoromethyl)-2-nitro-phenyl]piperazine-2-carboxylic acid CAS Name: 1-[4-(fluoromethyl)-2-nitrophenyl]-4-phenylmethoxycarbonyl-2-piperazinecarboxylic acid IUPAC Name: 1-[4-(fluoromethyl)-2-nitrophenyl]-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid Traditional Name: 4-carbobenzoxy-1-[4-(fluoromethyl)-2-nitro-phenyl]piperazine-2-carboxylic acid Formula: C20H20FN3O6 MolecularWeight: 417.387703

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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)CF)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H20FN3O6/c21-11-15-6-7-16(17(10-15)24(28)29)23-9-8-22(12-18(23)19(25)26)20(27)30-13-14-4-2-1-3-5-14/h1-7,10,18H,8-9,11-13H2,(H,25,26)