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

Systemtic Name: 2-[4-(4-cyano-2-nitro-phenyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(4-cyano-2-nitro-phenyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-(4-cyano-2-nitrophenyl)-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(4-cyano-2-nitrophenyl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-(4-cyano-2-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)C#N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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