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

Systemtic Name: ethyl 3-[[6-[(4-ethoxyphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[[6-(4-ethoxyanilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[6-(4-ethoxyanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(4-ethoxyanilino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[5-nitro-6-(p-phenetidino)pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C21H21N5O5 MolecularWeight: 423.42194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC(=C3)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC(=C3)C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O5/c1-3-30-17-10-8-15(9-11-17)24-19-18(26(28)29)20(23-13-22-19)25-16-7-5-6-14(12-16)21(27)31-4-2/h5-13H,3-4H2,1-2H3,(H2,22,23,24,25)