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

Systemtic Name: 3-[4-[3-(4-nitrophenoxy)propanoyl]piperazin-1-yl]-3-oxidanylidene-propanoic acid Openeye Name: 3-[4-[3-(4-nitrophenoxy)propanoyl]piperazin-1-yl]-3-oxo-propanoic acid CAS Name: 3-[4-[3-(4-nitrophenoxy)-1-oxopropyl]-1-piperazinyl]-3-oxopropanoic acid IUPAC Name: 3-[4-[3-(4-nitrophenoxy)propanoyl]piperazin-1-yl]-3-oxopropanoic acid Traditional Name: 3-keto-3-[4-[3-(4-nitrophenoxy)propanoyl]piperazino]propionic acid Formula: C16H19N3O7 MolecularWeight: 365.33796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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