[4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: [4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [4-[(2-methyl-6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] ester Formula: C26H23N5O4 MolecularWeight: 469.49192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)NC2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)N(C)C)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CC(=N1)NC2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)N(C)C)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C26H23N5O4/c1-17-27-22(18-7-5-4-6-8-18)16-25(28-17)29-20-10-12-21(13-11-20)35-26(32)19-9-14-23(30(2)3)24(15-19)31(33)34/h4-16H,1-3H3,(H,27,28,29)