2-[4-(2-cyano-4-nitro-phenyl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-(2-cyano-4-nitro-phenyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(2-cyano-4-nitro-phenyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-(2-cyano-4-nitrophenyl)-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(2-cyano-4-nitrophenyl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-(2-cyano-4-nitro-phenyl)piperazino]acetic acid Formula: C13H14N4O4 MolecularWeight: 290.27466

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)O)C2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

C1CN(CCN1CC(=O)O)C2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C13H14N4O4/c14-8-10-7-11(17(20)21)1-2-12(10)16-5-3-15(4-6-16)9-13(18)19/h1-2,7H,3-6,9H2,(H,18,19)