[2-(tert-butylamino)-2-oxidanylidene-ethyl] 2-methoxy-5-nitro-benzoate

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl] 2-methoxy-5-nitro-benzoate Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl] 2-methoxy-5-nitro-benzoate CAS Name: 2-methoxy-5-nitrobenzoic acid [2-(tert-butylamino)-2-oxoethyl] ester IUPAC Name: [2-(tert-butylamino)-2-oxoethyl] 2-methoxy-5-nitrobenzoate Traditional Name: 2-methoxy-5-nitro-benzoic acid [2-(tert-butylamino)-2-keto-ethyl] ester Formula: C14H18N2O6 MolecularWeight: 310.30252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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