1-(5-methyl-2-nitro-phenyl)-4-phenylmethoxycarbonyl-piperazine-2-carboxylic acid

Systemtic Name: 1-(5-methyl-2-nitro-phenyl)-4-phenylmethoxycarbonyl-piperazine-2-carboxylic acid Openeye Name: 4-benzyloxycarbonyl-1-(5-methyl-2-nitro-phenyl)piperazine-2-carboxylic acid CAS Name: 1-(5-methyl-2-nitrophenyl)-4-phenylmethoxycarbonyl-2-piperazinecarboxylic acid IUPAC Name: 1-(5-methyl-2-nitrophenyl)-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid Traditional Name: 4-carbobenzoxy-1-(5-methyl-2-nitro-phenyl)piperazine-2-carboxylic acid Formula: C20H21N3O6 MolecularWeight: 399.39724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])N2CCN(CC2C(=O)O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])N2CCN(CC2C(=O)O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O6/c1-14-7-8-16(23(27)28)17(11-14)22-10-9-21(12-18(22)19(24)25)20(26)29-13-15-5-3-2-4-6-15/h2-8,11,18H,9-10,12-13H2,1H3,(H,24,25)