ethyl 3-ethyl-5-(5-nitro-2-oxidanyl-phenyl)carbonyl-2-oxidanyl-benzoate

Systemtic Name: ethyl 3-ethyl-5-(5-nitro-2-oxidanyl-phenyl)carbonyl-2-oxidanyl-benzoate Openeye Name: ethyl 3-ethyl-2-hydroxy-5-(2-hydroxy-5-nitro-benzoyl)benzoate CAS Name: 3-ethyl-2-hydroxy-5-[(2-hydroxy-5-nitrophenyl)-oxomethyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-ethyl-2-hydroxy-5-(2-hydroxy-5-nitrobenzoyl)benzoate Traditional Name: 3-ethyl-2-hydroxy-5-(2-hydroxy-5-nitro-benzoyl)benzoic acid ethyl ester Formula: C18H17NO7 MolecularWeight: 359.33008

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1O)C(=O)OCC)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CCC1=CC(=CC(=C1O)C(=O)OCC)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C18H17NO7/c1-3-10-7-11(8-14(16(10)21)18(23)26-4-2)17(22)13-9-12(19(24)25)5-6-15(13)20/h5-9,20-21H,3-4H2,1-2H3