4-[4-(3-nitrophenyl)carbonylpiperazin-1-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-(3-nitrophenyl)carbonylpiperazin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(3-nitrobenzoyl)piperazin-1-yl]-4-oxo-butanoic acid CAS Name: 4-[4-[(3-nitrophenyl)-oxomethyl]-1-piperazinyl]-4-oxobutanoic acid IUPAC Name: 4-[4-(3-nitrobenzoyl)piperazin-1-yl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[4-(3-nitrobenzoyl)piperazino]butyric acid Formula: C15H17N3O6 MolecularWeight: 335.31198

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC(=O)O)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)CCC(=O)O)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O6/c19-13(4-5-14(20)21)16-6-8-17(9-7-16)15(22)11-2-1-3-12(10-11)18(23)24/h1-3,10H,4-9H2,(H,20,21)