[4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [4-[(2-methyl-6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] ester Formula: C26H22N4O6 MolecularWeight: 486.47608

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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+](=O)[O-])OC)OC)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H22N4O6/c1-16-27-21(17-7-5-4-6-8-17)14-25(28-16)29-18-9-11-19(12-10-18)36-26(31)20-13-23(34-2)24(35-3)15-22(20)30(32)33/h4-15H,1-3H3,(H,27,28,29)