(1-azanyl-1-oxidanylidene-propan-2-yl) 4-tert-butyl-3-nitro-benzoate

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) 4-tert-butyl-3-nitro-benzoate Openeye Name: (2-amino-1-methyl-2-oxo-ethyl) 4-tert-butyl-3-nitro-benzoate CAS Name: 4-tert-butyl-3-nitrobenzoic acid (1-amino-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-1-oxopropan-2-yl) 4-tert-butyl-3-nitrobenzoate Traditional Name: 4-tert-butyl-3-nitro-benzoic acid (2-amino-2-keto-1-methyl-ethyl) ester Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O5/c1-8(12(15)17)21-13(18)9-5-6-10(14(2,3)4)11(7-9)16(19)20/h5-8H,1-4H3,(H2,15,17)