1-(3-chloranyl-2-nitro-phenyl)-4-phenylmethoxycarbonyl-piperazin-1-ium-1-carboxylic acid

Systemtic Name: 1-(3-chloranyl-2-nitro-phenyl)-4-phenylmethoxycarbonyl-piperazin-1-ium-1-carboxylic acid Openeye Name: 4-benzyloxycarbonyl-1-(3-chloro-2-nitro-phenyl)piperazin-1-ium-1-carboxylic acid CAS Name: 1-(3-chloro-2-nitrophenyl)-4-phenylmethoxycarbonyl-1-piperazin-1-iumcarboxylic acid IUPAC Name: 1-(3-chloro-2-nitrophenyl)-4-phenylmethoxycarbonylpiperazin-1-ium-1-carboxylic acid Traditional Name: 4-carbobenzoxy-1-(3-chloro-2-nitro-phenyl)piperazin-1-ium-1-carboxylic acid Formula: C19H19ClN3O6+ MolecularWeight: 420.82366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1C(=O)OCC2=CC=CC=C2)(C3=C(C(=CC=C3)Cl)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1C[N+](CCN1C(=O)OCC2=CC=CC=C2)(C3=C(C(=CC=C3)Cl)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C19H18ClN3O6/c20-15-7-4-8-16(17(15)22(27)28)23(19(25)26)11-9-21(10-12-23)18(24)29-13-14-5-2-1-3-6-14/h1-8H,9-13H2/p+1