ethyl 3-[[6-[(4-butoxyphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 3-[[6-[(4-butoxyphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[[6-(4-butoxyanilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[6-(4-butoxyanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(4-butoxyanilino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[6-(4-butoxyanilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C23H25N5O5 MolecularWeight: 451.4751

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC(=C3)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC(=C3)C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C23H25N5O5/c1-3-5-13-33-19-11-9-17(10-12-19)26-21-20(28(30)31)22(25-15-24-21)27-18-8-6-7-16(14-18)23(29)32-4-2/h6-12,14-15H,3-5,13H2,1-2H3,(H2,24,25,26,27)