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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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