2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl]thio]acetic acid Formula: C14H17N3O5S MolecularWeight: 339.36688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O5S/c18-13(9-23-10-14(19)20)16-7-5-15(6-8-16)11-1-3-12(4-2-11)17(21)22/h1-4H,5-10H2,(H,19,20)