methyl 3-[2-(tert-butylamino)-1-oxidanyl-ethyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[2-(tert-butylamino)-1-oxidanyl-ethyl]-5-nitro-benzoate Openeye Name: methyl 3-[2-(tert-butylamino)-1-hydroxy-ethyl]-5-nitro-benzoate CAS Name: 3-[2-(tert-butylamino)-1-hydroxyethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[2-(tert-butylamino)-1-hydroxyethyl]-5-nitrobenzoate Traditional Name: 3-[2-(tert-butylamino)-1-hydroxy-ethyl]-5-nitro-benzoic acid methyl ester Formula: C14H20N2O5 MolecularWeight: 296.319

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O5/c1-14(2,3)15-8-12(17)9-5-10(13(18)21-4)7-11(6-9)16(19)20/h5-7,12,15,17H,8H2,1-4H3