tert-butyl 4-azanyl-4-nitro-3-oxidanyl-2-(phenylmethyl)butanoate

Systemtic Name: tert-butyl 4-azanyl-4-nitro-3-oxidanyl-2-(phenylmethyl)butanoate Openeye Name: tert-butyl 4-amino-2-benzyl-3-hydroxy-4-nitro-butanoate CAS Name: 4-amino-3-hydroxy-4-nitro-2-(phenylmethyl)butanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-amino-2-benzyl-3-hydroxy-4-nitrobutanoate Traditional Name: 4-amino-2-benzyl-3-hydroxy-4-nitro-butyric acid tert-butyl ester Formula: C15H22N2O5 MolecularWeight: 310.34558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O5/c1-15(2,3)22-14(19)11(12(18)13(16)17(20)21)9-10-7-5-4-6-8-10/h4-8,11-13,18H,9,16H2,1-3H3