tert-butyl 3-(4-nitro-2-propoxy-phenyl)benzoate

Systemtic Name: tert-butyl 3-(4-nitro-2-propoxy-phenyl)benzoate Openeye Name: tert-butyl 3-(4-nitro-2-propoxy-phenyl)benzoate CAS Name: 3-(4-nitro-2-propoxyphenyl)benzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-nitro-2-propoxyphenyl)benzoate Traditional Name: 3-(4-nitro-2-propoxy-phenyl)benzoic acid tert-butyl ester Formula: C20H23NO5 MolecularWeight: 357.40032

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)[N+](=O)[O-])C2=CC(=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CCCOC1=C(C=CC(=C1)[N+](=O)[O-])C2=CC(=CC=C2)C(=O)OC(C)(C)C

InChI

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