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

Systemtic Name: 4-[4-[3-(2-methyl-4-nitro-phenoxy)propanoyl]piperazin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[3-(2-methyl-4-nitro-phenoxy)propanoyl]piperazin-1-yl]-4-oxo-butanoic acid CAS Name: 4-[4-[3-(2-methyl-4-nitrophenoxy)-1-oxopropyl]-1-piperazinyl]-4-oxobutanoic acid IUPAC Name: 4-[4-[3-(2-methyl-4-nitrophenoxy)propanoyl]piperazin-1-yl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[4-[3-(2-methyl-4-nitro-phenoxy)propanoyl]piperazino]butyric acid Formula: C18H23N3O7 MolecularWeight: 393.39112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O7/c1-13-12-14(21(26)27)2-3-15(13)28-11-6-17(23)20-9-7-19(8-10-20)16(22)4-5-18(24)25/h2-3,12H,4-11H2,1H3,(H,24,25)