dimethyl 5-[[6-[(2-ethoxyphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[6-[(2-ethoxyphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[6-(2-ethoxyanilino)-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[6-(2-ethoxyanilino)-5-nitro-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[6-(2-ethoxyanilino)-5-nitropyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[5-nitro-6-(o-phenetidino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H21N5O7 MolecularWeight: 467.43144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC2=C(C(=NC=N2)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1NC2=C(C(=NC=N2)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O7/c1-4-34-17-8-6-5-7-16(17)26-20-18(27(30)31)19(23-12-24-20)25-15-10-13(21(28)32-2)9-14(11-15)22(29)33-3/h5-12H,4H2,1-3H3,(H2,23,24,25,26)