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

Systemtic Name: [3-[(6-methylpyrimidin-4-yl)amino]phenyl] 2-(4-nitrophenoxy)ethanoate Openeye Name: [3-[(6-methylpyrimidin-4-yl)amino]phenyl] 2-(4-nitrophenoxy)acetate CAS Name: 2-(4-nitrophenoxy)acetic acid [3-[(6-methyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(6-methylpyrimidin-4-yl)amino]phenyl] 2-(4-nitrophenoxy)acetate Traditional Name: 2-(4-nitrophenoxy)acetic acid [3-[(6-methylpyrimidin-4-yl)amino]phenyl] ester Formula: C19H16N4O5 MolecularWeight: 380.35414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O5/c1-13-9-18(21-12-20-13)22-14-3-2-4-17(10-14)28-19(24)11-27-16-7-5-15(6-8-16)23(25)26/h2-10,12H,11H2,1H3,(H,20,21,22)