4-[4-[3-(4-nitrophenoxy)propanoyl]piperazin-1-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-[3-(4-nitrophenoxy)propanoyl]piperazin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[3-(4-nitrophenoxy)propanoyl]piperazin-1-yl]-4-oxo-butanoic acid CAS Name: 4-[4-[3-(4-nitrophenoxy)-1-oxopropyl]-1-piperazinyl]-4-oxobutanoic acid IUPAC Name: 4-[4-[3-(4-nitrophenoxy)propanoyl]piperazin-1-yl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[4-[3-(4-nitrophenoxy)propanoyl]piperazino]butyric acid Formula: C17H21N3O7 MolecularWeight: 379.36454

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC(=O)O)C(=O)CCOC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)CCC(=O)O)C(=O)CCOC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O7/c21-15(5-6-17(23)24)18-8-10-19(11-9-18)16(22)7-12-27-14-3-1-13(2-4-14)20(25)26/h1-4H,5-12H2,(H,23,24)