methyl 4-[6-(tert-butylamino)-5-nitro-pyrimidin-4-yl]oxybenzoate

Systemtic Name: methyl 4-[6-(tert-butylamino)-5-nitro-pyrimidin-4-yl]oxybenzoate Openeye Name: methyl 4-[6-(tert-butylamino)-5-nitro-pyrimidin-4-yl]oxybenzoate CAS Name: 4-[[6-(tert-butylamino)-5-nitro-4-pyrimidinyl]oxy]benzoic acid methyl ester IUPAC Name: methyl 4-[6-(tert-butylamino)-5-nitropyrimidin-4-yl]oxybenzoate Traditional Name: 4-[6-(tert-butylamino)-5-nitro-pyrimidin-4-yl]oxybenzoic acid methyl ester Formula: C16H18N4O5 MolecularWeight: 346.33792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=C(C(=NC=N1)OC2=CC=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC1=C(C(=NC=N1)OC2=CC=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O5/c1-16(2,3)19-13-12(20(22)23)14(18-9-17-13)25-11-7-5-10(6-8-11)15(21)24-4/h5-9H,1-4H3,(H,17,18,19)