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

Systemtic Name: [3-(tert-butylamino)-2-oxidanyl-propyl] 2-chloranyl-4-nitro-benzoate Openeye Name: [3-(tert-butylamino)-2-hydroxy-propyl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [3-(tert-butylamino)-2-hydroxypropyl] ester IUPAC Name: [3-(tert-butylamino)-2-hydroxypropyl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [3-(tert-butylamino)-2-hydroxy-propyl] ester Formula: C14H19ClN2O5 MolecularWeight: 330.76406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19ClN2O5/c1-14(2,3)16-7-10(18)8-22-13(19)11-5-4-9(17(20)21)6-12(11)15/h4-6,10,16,18H,7-8H2,1-3H3