2-[4-(3-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[4-(3-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[4-(3-nitrophenyl)piperazin-1-yl]-2-oxo-acetic acid CAS Name: 2-[4-(3-nitrophenyl)-1-piperazinyl]-2-oxoacetic acid IUPAC Name: 2-[4-(3-nitrophenyl)piperazin-1-yl]-2-oxoacetic acid Traditional Name: 2-keto-2-[4-(3-nitrophenyl)piperazino]acetic acid Formula: C12H13N3O5 MolecularWeight: 279.24872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C(=O)O

InChI

InChI=1S/C12H13N3O5/c16-11(12(17)18)14-6-4-13(5-7-14)9-2-1-3-10(8-9)15(19)20/h1-3,8H,4-7H2,(H,17,18)