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

Systemtic Name: 2-[4-[3-(3-methyl-4-nitro-phenoxy)propanoyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[3-(3-methyl-4-nitro-phenoxy)propanoyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[3-(3-methyl-4-nitrophenoxy)-1-oxopropyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[3-(3-methyl-4-nitrophenoxy)propanoyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[3-(3-methyl-4-nitro-phenoxy)propanoyl]piperazino]acetic acid Formula: C16H21N3O6 MolecularWeight: 351.35444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O6/c1-12-10-13(2-3-14(12)19(23)24)25-9-4-15(20)18-7-5-17(6-8-18)11-16(21)22/h2-3,10H,4-9,11H2,1H3,(H,21,22)