1-(2-nitrophenyl)-4-phenylmethoxycarbonyl-piperazine-2-carboxylic acid

Systemtic Name: 1-(2-nitrophenyl)-4-phenylmethoxycarbonyl-piperazine-2-carboxylic acid Openeye Name: 4-benzyloxycarbonyl-1-(2-nitrophenyl)piperazine-2-carboxylic acid CAS Name: 1-(2-nitrophenyl)-4-phenylmethoxycarbonyl-2-piperazinecarboxylic acid IUPAC Name: 1-(2-nitrophenyl)-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid Traditional Name: 4-carbobenzoxy-1-(2-nitrophenyl)piperazine-2-carboxylic acid Formula: C19H19N3O6 MolecularWeight: 385.37066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O6/c23-18(24)17-12-20(19(25)28-13-14-6-2-1-3-7-14)10-11-21(17)15-8-4-5-9-16(15)22(26)27/h1-9,17H,10-13H2,(H,23,24)