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

Systemtic Name: 2-methylpropyl 4-[[5-nitro-6-[(4-phenoxyphenyl)amino]pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-nitro-6-(4-phenoxyanilino)-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C27H25N5O5 MolecularWeight: 499.5179

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)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

CC(C)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/C27H25N5O5/c1-18(2)16-36-27(33)19-8-10-20(11-9-19)30-25-24(32(34)35)26(29-17-28-25)31-21-12-14-23(15-13-21)37-22-6-4-3-5-7-22/h3-15,17-18H,16H2,1-2H3,(H2,28,29,30,31)