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

Systemtic Name: methyl 4-[[6-[(2-ethoxyphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[6-(2-ethoxyanilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(2-ethoxyanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-(2-ethoxyanilino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-nitro-6-(o-phenetidino)pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C20H19N5O5 MolecularWeight: 409.39536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCOC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H19N5O5/c1-3-30-16-7-5-4-6-15(16)24-19-17(25(27)28)18(21-12-22-19)23-14-10-8-13(9-11-14)20(26)29-2/h4-12H,3H2,1-2H3,(H2,21,22,23,24)