4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxo-butanoate CAS Name: 4-[4-(4-nitrophenyl)-1-piperazinyl]-4-oxobutanoate IUPAC Name: 4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobutanoate Traditional Name: 4-keto-4-[4-(4-nitrophenyl)piperazino]butyrate Formula: C14H16N3O5- MolecularWeight: 306.29394

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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)/p-1