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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=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

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