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

Systemtic Name: 1-(4-chloranyl-2-nitro-phenyl)-4-phenylmethoxycarbonyl-piperazine-2-carboxylic acid Openeye Name: 4-benzyloxycarbonyl-1-(4-chloro-2-nitro-phenyl)piperazine-2-carboxylic acid CAS Name: 1-(4-chloro-2-nitrophenyl)-4-phenylmethoxycarbonyl-2-piperazinecarboxylic acid IUPAC Name: 1-(4-chloro-2-nitrophenyl)-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid Traditional Name: 4-carbobenzoxy-1-(4-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=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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