4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxo-butanoic acid CAS Name: 4-[4-(4-nitrophenyl)-1-piperazinyl]-4-oxobutanoic acid IUPAC Name: 4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[4-(4-nitrophenyl)piperazino]butyric acid Formula: C14H17N3O5 MolecularWeight: 307.30188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O5/c18-13(5-6-14(19)20)16-9-7-15(8-10-16)11-1-3-12(4-2-11)17(21)22/h1-4H,5-10H2,(H,19,20)