2-(5-nitro-2-piperidin-1-yl-phenyl)propanoic acid

Systemtic Name: 2-(5-nitro-2-piperidin-1-yl-phenyl)propanoic acid Openeye Name: 2-[5-nitro-2-(1-piperidyl)phenyl]propanoic acid CAS Name: 2-[5-nitro-2-(1-piperidinyl)phenyl]propanoic acid IUPAC Name: 2-(5-nitro-2-piperidin-1-ylphenyl)propanoic acid Traditional Name: 2-(5-nitro-2-piperidino-phenyl)propionic acid Formula: C14H18N2O4 MolecularWeight: 278.30372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)[N+](=O)[O-])N2CCCCC2)C(=O)O

Isomeric SMILES

CC(C1=C(C=CC(=C1)[N+](=O)[O-])N2CCCCC2)C(=O)O

InChI

InChI=1S/C14H18N2O4/c1-10(14(17)18)12-9-11(16(19)20)5-6-13(12)15-7-3-2-4-8-15/h5-6,9-10H,2-4,7-8H2,1H3,(H,17,18)