[3-(tert-butylamino)-2-oxidanyl-propyl] 3-nitrobenzoate

Systemtic Name: [3-(tert-butylamino)-2-oxidanyl-propyl] 3-nitrobenzoate Openeye Name: [3-(tert-butylamino)-2-hydroxy-propyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [3-(tert-butylamino)-2-hydroxypropyl] ester IUPAC Name: [3-(tert-butylamino)-2-hydroxypropyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [3-(tert-butylamino)-2-hydroxy-propyl] ester Formula: C14H20N2O5 MolecularWeight: 296.319

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O5/c1-14(2,3)15-8-12(17)9-21-13(18)10-5-4-6-11(7-10)16(19)20/h4-7,12,15,17H,8-9H2,1-3H3