[4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-(2-nitrophenoxy)ethanoate

Systemtic Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-(2-nitrophenoxy)ethanoate Openeye Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-(2-nitrophenoxy)acetate CAS Name: 2-(2-nitrophenoxy)acetic acid [4-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-(2-nitrophenoxy)acetate Traditional Name: 2-(2-nitrophenoxy)acetic acid [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] ester Formula: C24H18N4O5 MolecularWeight: 442.42352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(=O)COC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(=O)COC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C24H18N4O5/c29-24(15-32-22-9-5-4-8-21(22)28(30)31)33-19-12-10-18(11-13-19)27-23-14-20(25-16-26-23)17-6-2-1-3-7-17/h1-14,16H,15H2,(H,25,26,27)