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

Systemtic Name: ethyl 3-[[5-nitro-6-[(4-phenoxyphenyl)amino]pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[5-nitro-6-(4-phenoxyanilino)-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[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(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

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