4-[(4-nitrophenyl)methoxycarbonyl]piperazine-2-carboxylic acid

Systemtic Name: 4-[(4-nitrophenyl)methoxycarbonyl]piperazine-2-carboxylic acid Openeye Name: 4-[(4-nitrophenyl)methoxycarbonyl]piperazine-2-carboxylic acid CAS Name: 4-[(4-nitrophenyl)methoxy-oxomethyl]-2-piperazinecarboxylic acid IUPAC Name: 4-[(4-nitrophenyl)methoxycarbonyl]piperazine-2-carboxylic acid Traditional Name: 4-(4-nitrobenzyl)oxycarbonylpiperazine-2-carboxylic acid Formula: C13H15N3O6 MolecularWeight: 309.2747

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)C(=O)O)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC(N1)C(=O)O)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O6/c17-12(18)11-7-15(6-5-14-11)13(19)22-8-9-1-3-10(4-2-9)16(20)21/h1-4,11,14H,5-8H2,(H,17,18)