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

Systemtic Name: methyl 2-[[5-nitro-6-[(4-phenoxyphenyl)amino]pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[5-nitro-6-(4-phenoxyanilino)-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C24H19N5O5 MolecularWeight: 457.43816

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H19N5O5/c1-33-24(30)19-9-5-6-10-20(19)28-23-21(29(31)32)22(25-15-26-23)27-16-11-13-18(14-12-16)34-17-7-3-2-4-8-17/h2-15H,1H3,(H2,25,26,27,28)