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

Systemtic Name: 1-(3-chloranyl-2-nitro-phenyl)-4-phenylmethoxycarbonyl-piperazine-2-carboxylic acid Openeye Name: 4-benzyloxycarbonyl-1-(3-chloro-2-nitro-phenyl)piperazine-2-carboxylic acid CAS Name: 1-(3-chloro-2-nitrophenyl)-4-phenylmethoxycarbonyl-2-piperazinecarboxylic acid IUPAC Name: 1-(3-chloro-2-nitrophenyl)-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid Traditional Name: 4-carbobenzoxy-1-(3-chloro-2-nitro-phenyl)piperazine-2-carboxylic acid Formula: C19H18ClN3O6 MolecularWeight: 419.81572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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