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

Systemtic Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [4-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] ester Formula: C25H20N4O6 MolecularWeight: 472.4495

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC2=CC=C(C=C2)NC3=NC=NC(=C3)C4=CC=CC=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC2=CC=C(C=C2)NC3=NC=NC(=C3)C4=CC=CC=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C25H20N4O6/c1-33-22-12-19(21(29(31)32)14-23(22)34-2)25(30)35-18-10-8-17(9-11-18)28-24-13-20(26-15-27-24)16-6-4-3-5-7-16/h3-15H,1-2H3,(H,26,27,28)