4-[4-[2-(4-nitrophenoxy)ethanoyl]piperazin-1-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-[2-(4-nitrophenoxy)ethanoyl]piperazin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[2-(4-nitrophenoxy)acetyl]piperazin-1-yl]-4-oxo-butanoic acid CAS Name: 4-[4-[2-(4-nitrophenoxy)-1-oxoethyl]-1-piperazinyl]-4-oxobutanoic acid IUPAC Name: 4-[4-[2-(4-nitrophenoxy)acetyl]piperazin-1-yl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[4-[2-(4-nitrophenoxy)acetyl]piperazino]butyric acid Formula: C16H19N3O7 MolecularWeight: 365.33796

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC(=O)O)C(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)CCC(=O)O)C(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O7/c20-14(5-6-16(22)23)17-7-9-18(10-8-17)15(21)11-26-13-3-1-12(2-4-13)19(24)25/h1-4H,5-11H2,(H,22,23)