ethyl 3-[[6-[(2-ethylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 3-[[6-[(2-ethylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[[6-(2-ethylanilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[6-(2-ethylanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(2-ethylanilino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[6-(2-ethylanilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C21H21N5O4 MolecularWeight: 407.42254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC(=C3)C(=O)OCC

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC(=C3)C(=O)OCC

InChI

InChI=1S/C21H21N5O4/c1-3-14-8-5-6-11-17(14)25-20-18(26(28)29)19(22-13-23-20)24-16-10-7-9-15(12-16)21(27)30-4-2/h5-13H,3-4H2,1-2H3,(H2,22,23,24,25)