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

Systemtic Name: 2-[4-(2-methylprop-2-enoxy)-3-nitro-phenyl]butanoic acid Openeye Name: 2-[4-(2-methylallyloxy)-3-nitro-phenyl]butanoic acid CAS Name: 2-[4-(2-methylprop-2-enoxy)-3-nitrophenyl]butanoic acid IUPAC Name: 2-[4-(2-methylprop-2-enoxy)-3-nitrophenyl]butanoic acid Traditional Name: 2-[4-(2-methylallyloxy)-3-nitro-phenyl]butyric acid Formula: C14H17NO5 MolecularWeight: 279.28848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO5/c1-4-11(14(16)17)10-5-6-13(20-8-9(2)3)12(7-10)15(18)19/h5-7,11H,2,4,8H2,1,3H3,(H,16,17)