methyl 4-[[6-(methylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 4-[[6-(methylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[6-(methylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(methylamino)-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(methylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C13H13N5O4 MolecularWeight: 303.27342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C13H13N5O4/c1-14-11-10(18(20)21)12(16-7-15-11)17-9-5-3-8(4-6-9)13(19)22-2/h3-7H,1-2H3,(H2,14,15,16,17)