1-[4,5-bis(fluoranyl)-2-nitro-phenyl]-4-phenylmethoxycarbonyl-piperazine-2-carboxylic acid

Systemtic Name: 1-[4,5-bis(fluoranyl)-2-nitro-phenyl]-4-phenylmethoxycarbonyl-piperazine-2-carboxylic acid Openeye Name: 4-benzyloxycarbonyl-1-(4,5-difluoro-2-nitro-phenyl)piperazine-2-carboxylic acid CAS Name: 1-(4,5-difluoro-2-nitrophenyl)-4-phenylmethoxycarbonyl-2-piperazinecarboxylic acid IUPAC Name: 1-(4,5-difluoro-2-nitrophenyl)-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid Traditional Name: 4-carbobenzoxy-1-(4,5-difluoro-2-nitro-phenyl)piperazine-2-carboxylic acid Formula: C19H17F2N3O6 MolecularWeight: 421.351586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17F2N3O6/c20-13-8-15(16(24(28)29)9-14(13)21)23-7-6-22(10-17(23)18(25)26)19(27)30-11-12-4-2-1-3-5-12/h1-5,8-9,17H,6-7,10-11H2,(H,25,26)