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

Systemtic Name: ethyl 4-[[5-nitro-6-[(4-phenoxyphenyl)amino]pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-nitro-6-(4-phenoxyanilino)-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C25H21N5O5 MolecularWeight: 471.46474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=C(C=C3)OC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=C(C=C3)OC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H21N5O5/c1-2-34-25(31)17-8-10-18(11-9-17)28-23-22(30(32)33)24(27-16-26-23)29-19-12-14-21(15-13-19)35-20-6-4-3-5-7-20/h3-16H,2H2,1H3,(H2,26,27,28,29)