2-[4-(2-methylprop-2-enoxy)-3-nitro-phenyl]propanoic acid

Systemtic Name: 2-[4-(2-methylprop-2-enoxy)-3-nitro-phenyl]propanoic acid Openeye Name: 2-[4-(2-methylallyloxy)-3-nitro-phenyl]propanoic acid CAS Name: 2-[4-(2-methylprop-2-enoxy)-3-nitrophenyl]propanoic acid IUPAC Name: 2-[4-(2-methylprop-2-enoxy)-3-nitrophenyl]propanoic acid Traditional Name: 2-[4-(2-methylallyloxy)-3-nitro-phenyl]propionic acid Formula: C13H15NO5 MolecularWeight: 265.2619

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO5/c1-8(2)7-19-12-5-4-10(9(3)13(15)16)6-11(12)14(17)18/h4-6,9H,1,7H2,2-3H3,(H,15,16)