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

Systemtic Name: 3-[4-(4-bromanyl-2-nitro-phenyl)piperazin-1-yl]propanoic acid Openeye Name: 3-[4-(4-bromo-2-nitro-phenyl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-(4-bromo-2-nitrophenyl)-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(4-bromo-2-nitrophenyl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(4-bromo-2-nitro-phenyl)piperazino]propionic acid Formula: C13H16BrN3O4 MolecularWeight: 358.18784

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)C2=C(C=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCC(=O)O)C2=C(C=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H16BrN3O4/c14-10-1-2-11(12(9-10)17(20)21)16-7-5-15(6-8-16)4-3-13(18)19/h1-2,9H,3-8H2,(H,18,19)