2-ethyl-4-[2-(4-nitrophenoxy)ethanoyl]-5-oxidanyl-phenolate

Systemtic Name: 2-ethyl-4-[2-(4-nitrophenoxy)ethanoyl]-5-oxidanyl-phenolate Openeye Name: 2-ethyl-5-hydroxy-4-[2-(4-nitrophenoxy)acetyl]phenolate CAS Name: 2-ethyl-5-hydroxy-4-[2-(4-nitrophenoxy)-1-oxoethyl]phenolate IUPAC Name: 2-ethyl-5-hydroxy-4-[2-(4-nitrophenoxy)acetyl]phenolate Traditional Name: 2-ethyl-5-hydroxy-4-[2-(4-nitrophenoxy)acetyl]phenolate Formula: C16H14NO6- MolecularWeight: 316.28546

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C(=O)COC2=CC=C(C=C2)[N+](=O)[O-])O)[O-]

Isomeric SMILES

CCC1=C(C=C(C(=C1)C(=O)COC2=CC=C(C=C2)[N+](=O)[O-])O)[O-]

InChI

InChI=1S/C16H15NO6/c1-2-10-7-13(15(19)8-14(10)18)16(20)9-23-12-5-3-11(4-6-12)17(21)22/h3-8,18-19H,2,9H2,1H3/p-1