ethyl 2-(2-nitro-4-phenyl-phenyl)-2-oxidanyl-hexanoate

Systemtic Name: ethyl 2-(2-nitro-4-phenyl-phenyl)-2-oxidanyl-hexanoate Openeye Name: ethyl 2-hydroxy-2-(2-nitro-4-phenyl-phenyl)hexanoate CAS Name: 2-hydroxy-2-(2-nitro-4-phenylphenyl)hexanoic acid ethyl ester IUPAC Name: ethyl 2-hydroxy-2-(2-nitro-4-phenylphenyl)hexanoate Traditional Name: 2-hydroxy-2-(2-nitro-4-phenyl-phenyl)hexanoic acid ethyl ester Formula: C20H23NO5 MolecularWeight: 357.40032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO5/c1-3-5-13-20(23,19(22)26-4-2)17-12-11-16(14-18(17)21(24)25)15-9-7-6-8-10-15/h6-12,14,23H,3-5,13H2,1-2H3