3-[4-(4-methyl-2-nitro-phenyl)piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-(4-methyl-2-nitro-phenyl)piperazin-1-yl]propanoic acid Openeye Name: 3-[4-(4-methyl-2-nitro-phenyl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-(4-methyl-2-nitrophenyl)-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(4-methyl-2-nitrophenyl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(4-methyl-2-nitro-phenyl)piperazino]propionic acid Formula: C14H19N3O4 MolecularWeight: 293.31836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O4/c1-11-2-3-12(13(10-11)17(20)21)16-8-6-15(7-9-16)5-4-14(18)19/h2-3,10H,4-9H2,1H3,(H,18,19)