methyl 2-[[6-(2-tert-butylhydrazinyl)-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 2-[[6-(2-tert-butylhydrazinyl)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[6-(2-tert-butylhydrazino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[6-(tert-butylhydrazo)-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[6-(N'-tert-butylhydrazino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C16H20N6O4 MolecularWeight: 360.3678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

CC(C)(C)NNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C16H20N6O4/c1-16(2,3)21-20-14-12(22(24)25)13(17-9-18-14)19-11-8-6-5-7-10(11)15(23)26-4/h5-9,21H,1-4H3,(H2,17,18,19,20)