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

Systemtic Name: 2-methyl-2-[3-nitro-4-(4-prop-2-enoxycyclohexen-1-yl)phenyl]propanoic acid Openeye Name: 2-[4-(4-allyloxycyclohexen-1-yl)-3-nitro-phenyl]-2-methyl-propanoic acid CAS Name: 2-methyl-2-[3-nitro-4-(4-prop-2-enoxy-1-cyclohexenyl)phenyl]propanoic acid IUPAC Name: 2-methyl-2-[3-nitro-4-(4-prop-2-enoxycyclohexen-1-yl)phenyl]propanoic acid Traditional Name: 2-[4-(4-allyloxycyclohexen-1-yl)-3-nitro-phenyl]-2-methyl-propionic acid Formula: C19H23NO5 MolecularWeight: 345.38962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC(=C(C=C1)C2=CCC(CC2)OCC=C)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)(C1=CC(=C(C=C1)C2=CCC(CC2)OCC=C)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C19H23NO5/c1-4-11-25-15-8-5-13(6-9-15)16-10-7-14(12-17(16)20(23)24)19(2,3)18(21)22/h4-5,7,10,12,15H,1,6,8-9,11H2,2-3H3,(H,21,22)