4-[(4-nitrophenyl)methoxycarbonyl]-1-nitroso-piperazine-2-carboxylic acid

Systemtic Name: 4-[(4-nitrophenyl)methoxycarbonyl]-1-nitroso-piperazine-2-carboxylic acid Openeye Name: 4-[(4-nitrophenyl)methoxycarbonyl]-1-nitroso-piperazine-2-carboxylic acid CAS Name: 4-[(4-nitrophenyl)methoxy-oxomethyl]-1-nitroso-2-piperazinecarboxylic acid IUPAC Name: 4-[(4-nitrophenyl)methoxycarbonyl]-1-nitrosopiperazine-2-carboxylic acid Traditional Name: 4-(4-nitrobenzyl)oxycarbonyl-1-nitroso-piperazine-2-carboxylic acid Formula: C13H14N4O7 MolecularWeight: 338.27286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O7/c18-12(19)11-7-15(5-6-16(11)14-21)13(20)24-8-9-1-3-10(4-2-9)17(22)23/h1-4,11H,5-8H2,(H,18,19)