tert-butyl 2-(2-azanylpropanoyl)-6-nitro-3-oxidanyl-benzoate

Systemtic Name: tert-butyl 2-(2-azanylpropanoyl)-6-nitro-3-oxidanyl-benzoate Openeye Name: tert-butyl 2-(2-aminopropanoyl)-3-hydroxy-6-nitro-benzoate CAS Name: 2-(2-amino-1-oxopropyl)-3-hydroxy-6-nitrobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-aminopropanoyl)-3-hydroxy-6-nitrobenzoate Traditional Name: 2-alanyl-3-hydroxy-6-nitro-benzoic acid tert-butyl ester Formula: C14H18N2O6 MolecularWeight: 310.30252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=C(C=CC(=C1C(=O)OC(C)(C)C)[N+](=O)[O-])O)N

Isomeric SMILES

CC(C(=O)C1=C(C=CC(=C1C(=O)OC(C)(C)C)[N+](=O)[O-])O)N

InChI

InChI=1S/C14H18N2O6/c1-7(15)12(18)11-9(17)6-5-8(16(20)21)10(11)13(19)22-14(2,3)4/h5-7,17H,15H2,1-4H3