[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [3-[(4,6-dimethyl-2-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] ester Formula: C23H23N5O4 MolecularWeight: 433.45982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC2=CC(=CC=C2)OC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)NC2=CC(=CC=C2)OC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])C

InChI

InChI=1S/C23H23N5O4/c1-15-12-16(2)25-23(24-15)26-18-6-5-7-19(14-18)32-22(29)17-8-9-20(21(13-17)28(30)31)27-10-3-4-11-27/h5-9,12-14H,3-4,10-11H2,1-2H3,(H,24,25,26)