5-[4-[3-(4-methyl-2-nitro-phenoxy)propanoyl]piperazin-1-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[4-[3-(4-methyl-2-nitro-phenoxy)propanoyl]piperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[4-[3-(4-methyl-2-nitro-phenoxy)propanoyl]piperazin-1-yl]-5-oxo-pentanoic acid CAS Name: 5-[4-[3-(4-methyl-2-nitrophenoxy)-1-oxopropyl]-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: 5-[4-[3-(4-methyl-2-nitrophenoxy)propanoyl]piperazin-1-yl]-5-oxopentanoic acid Traditional Name: 5-keto-5-[4-[3-(4-methyl-2-nitro-phenoxy)propanoyl]piperazino]valeric acid Formula: C19H25N3O7 MolecularWeight: 407.4177

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O7/c1-14-5-6-16(15(13-14)22(27)28)29-12-7-18(24)21-10-8-20(9-11-21)17(23)3-2-4-19(25)26/h5-6,13H,2-4,7-12H2,1H3,(H,25,26)