1-[2,3-bis(chloranyl)-6-nitro-phenyl]-4-phenylmethoxycarbonyl-piperazine-2-carboxylic acid

Systemtic Name: 1-[2,3-bis(chloranyl)-6-nitro-phenyl]-4-phenylmethoxycarbonyl-piperazine-2-carboxylic acid Openeye Name: 4-benzyloxycarbonyl-1-(2,3-dichloro-6-nitro-phenyl)piperazine-2-carboxylic acid CAS Name: 1-(2,3-dichloro-6-nitrophenyl)-4-phenylmethoxycarbonyl-2-piperazinecarboxylic acid IUPAC Name: 1-(2,3-dichloro-6-nitrophenyl)-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid Traditional Name: 4-carbobenzoxy-1-(2,3-dichloro-6-nitro-phenyl)piperazine-2-carboxylic acid Formula: C19H17Cl2N3O6 MolecularWeight: 454.26078

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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(=C3Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(C(CN1C(=O)OCC2=CC=CC=C2)C(=O)O)C3=C(C=CC(=C3Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H17Cl2N3O6/c20-13-6-7-14(24(28)29)17(16(13)21)23-9-8-22(10-15(23)18(25)26)19(27)30-11-12-4-2-1-3-5-12/h1-7,15H,8-11H2,(H,25,26)