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

Systemtic Name: methyl 4-[[6-[(2-fluorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[6-(2-fluoroanilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(2-fluoroanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-(2-fluoroanilino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(2-fluoroanilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C18H14FN5O4 MolecularWeight: 383.333263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC=C3F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC=C3F)[N+](=O)[O-]

InChI

InChI=1S/C18H14FN5O4/c1-28-18(25)11-6-8-12(9-7-11)22-16-15(24(26)27)17(21-10-20-16)23-14-5-3-2-4-13(14)19/h2-10H,1H3,(H2,20,21,22,23)