[3-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-(4-nitrophenoxy)ethanoate

Systemtic Name: [3-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-(4-nitrophenoxy)ethanoate Openeye Name: [3-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-(4-nitrophenoxy)acetate CAS Name: 2-(4-nitrophenoxy)acetic acid [3-[(2-methyl-6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl] 2-(4-nitrophenoxy)acetate Traditional Name: 2-(4-nitrophenoxy)acetic acid [3-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] ester Formula: C25H20N4O5 MolecularWeight: 456.4501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)NC2=CC(=CC=C2)OC(=O)COC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CC(=N1)NC2=CC(=CC=C2)OC(=O)COC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C25H20N4O5/c1-17-26-23(18-6-3-2-4-7-18)15-24(27-17)28-19-8-5-9-22(14-19)34-25(30)16-33-21-12-10-20(11-13-21)29(31)32/h2-15H,16H2,1H3,(H,26,27,28)