3-[4-[3-(2-methyl-4-nitro-phenoxy)propanoyl]piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-[3-(2-methyl-4-nitro-phenoxy)propanoyl]piperazin-1-yl]propanoic acid Openeye Name: 3-[4-[3-(2-methyl-4-nitro-phenoxy)propanoyl]piperazin-1-yl]propanoic acid CAS Name: 3-[4-[3-(2-methyl-4-nitrophenoxy)-1-oxopropyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-[3-(2-methyl-4-nitrophenoxy)propanoyl]piperazin-1-yl]propanoic acid Traditional Name: 3-[4-[3-(2-methyl-4-nitro-phenoxy)propanoyl]piperazino]propionic acid Formula: C17H23N3O6 MolecularWeight: 365.38102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])OCCC(=O)N2CCN(CC2)CCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])OCCC(=O)N2CCN(CC2)CCC(=O)O

InChI

InChI=1S/C17H23N3O6/c1-13-12-14(20(24)25)2-3-15(13)26-11-5-16(21)19-9-7-18(8-10-19)6-4-17(22)23/h2-3,12H,4-11H2,1H3,(H,22,23)