2-[3-ethyl-4-(4-nitrophenyl)phenyl]-2-oxidanyl-ethanoate; methane

Systemtic Name: 2-[3-ethyl-4-(4-nitrophenyl)phenyl]-2-oxidanyl-ethanoate; methane Openeye Name: 2-[3-ethyl-4-(4-nitrophenyl)phenyl]-2-hydroxy-acetate; methane CAS Name: 2-[3-ethyl-4-(4-nitrophenyl)phenyl]-2-hydroxyacetate; methane IUPAC Name: 2-[3-ethyl-4-(4-nitrophenyl)phenyl]-2-hydroxyacetate; methane Traditional Name: 2-[3-ethyl-4-(4-nitrophenyl)phenyl]-2-hydroxy-acetate; methane Formula: C17H18NO5- MolecularWeight: 316.32852

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Descriptors Computed from Structure

Canonical SMILES:

C.CCC1=C(C=CC(=C1)C(C(=O)[O-])O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C.CCC1=C(C=CC(=C1)C(C(=O)[O-])O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H15NO5.CH4/c1-2-10-9-12(15(18)16(19)20)5-8-14(10)11-3-6-13(7-4-11)17(21)22;/h3-9,15,18H,2H2,1H3,(H,19,20);1H4/p-1