[3-(tert-butylamino)-2-oxidanyl-propyl] 2-methyl-4-nitro-benzoate

Systemtic Name: [3-(tert-butylamino)-2-oxidanyl-propyl] 2-methyl-4-nitro-benzoate Openeye Name: [3-(tert-butylamino)-2-hydroxy-propyl] 2-methyl-4-nitro-benzoate CAS Name: 2-methyl-4-nitrobenzoic acid [3-(tert-butylamino)-2-hydroxypropyl] ester IUPAC Name: [3-(tert-butylamino)-2-hydroxypropyl] 2-methyl-4-nitrobenzoate Traditional Name: 2-methyl-4-nitro-benzoic acid [3-(tert-butylamino)-2-hydroxy-propyl] ester Formula: C15H22N2O5 MolecularWeight: 310.34558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)OCC(CNC(C)(C)C)O

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)OCC(CNC(C)(C)C)O

InChI

InChI=1S/C15H22N2O5/c1-10-7-11(17(20)21)5-6-13(10)14(19)22-9-12(18)8-16-15(2,3)4/h5-7,12,16,18H,8-9H2,1-4H3