[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 2-(4-nitrophenoxy)ethanoate

Systemtic Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 2-(4-nitrophenoxy)ethanoate Openeye Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 2-(4-nitrophenoxy)acetate CAS Name: 2-(4-nitrophenoxy)acetic acid [3-[(4,6-dimethyl-2-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 2-(4-nitrophenoxy)acetate Traditional Name: 2-(4-nitrophenoxy)acetic acid [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] ester Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O5/c1-13-10-14(2)22-20(21-13)23-15-4-3-5-18(11-15)29-19(25)12-28-17-8-6-16(7-9-17)24(26)27/h3-11H,12H2,1-2H3,(H,21,22,23)