[4-[(6-methylpyrimidin-4-yl)amino]phenyl] 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [4-[(6-methyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [4-[(6-methylpyrimidin-4-yl)amino]phenyl] ester Formula: C20H19N5O4 MolecularWeight: 393.39596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O4/c1-13-10-19(22-12-21-13)23-15-5-7-16(8-6-15)29-20(26)14-4-9-17(24(2)3)18(11-14)25(27)28/h4-12H,1-3H3,(H,21,22,23)