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

Systemtic Name: 3-[4-[3-(4-methyl-2-nitro-phenoxy)propanoyl]piperazin-1-yl]-3-oxidanylidene-propanoic acid Openeye Name: 3-[4-[3-(4-methyl-2-nitro-phenoxy)propanoyl]piperazin-1-yl]-3-oxo-propanoic acid CAS Name: 3-[4-[3-(4-methyl-2-nitrophenoxy)-1-oxopropyl]-1-piperazinyl]-3-oxopropanoic acid IUPAC Name: 3-[4-[3-(4-methyl-2-nitrophenoxy)propanoyl]piperazin-1-yl]-3-oxopropanoic acid Traditional Name: 3-keto-3-[4-[3-(4-methyl-2-nitro-phenoxy)propanoyl]piperazino]propionic acid Formula: C17H21N3O7 MolecularWeight: 379.36454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O7/c1-12-2-3-14(13(10-12)20(25)26)27-9-4-15(21)18-5-7-19(8-6-18)16(22)11-17(23)24/h2-3,10H,4-9,11H2,1H3,(H,23,24)