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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O7/c1-13-2-3-15(14(12-13)21(26)27)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)