3-nitro-N-[4-[2-[4-[(3-nitrophenyl)carbonylamino]phenyl]-6-phenyl-pyrimidin-4-yl]phenyl]benzamide

Systemtic Name: 3-nitro-N-[4-[2-[4-[(3-nitrophenyl)carbonylamino]phenyl]-6-phenyl-pyrimidin-4-yl]phenyl]benzamide Openeye Name: 3-nitro-N-[4-[2-[4-[(3-nitrobenzoyl)amino]phenyl]-6-phenyl-pyrimidin-4-yl]phenyl]benzamide CAS Name: 3-nitro-N-[4-[2-[4-[[(3-nitrophenyl)-oxomethyl]amino]phenyl]-6-phenyl-4-pyrimidinyl]phenyl]benzamide IUPAC Name: 3-nitro-N-[4-[2-[4-[(3-nitrobenzoyl)amino]phenyl]-6-phenylpyrimidin-4-yl]phenyl]benzamide Traditional Name: 3-nitro-N-[4-[2-[4-[(3-nitrobenzoyl)amino]phenyl]-6-phenyl-pyrimidin-4-yl]phenyl]benzamide Formula: C36H24N6O6 MolecularWeight: 636.61236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=C(C=C5)NC(=O)C6=CC(=CC=C6)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=C(C=C5)NC(=O)C6=CC(=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C36H24N6O6/c43-35(26-8-4-10-30(20-26)41(45)46)37-28-16-12-24(13-17-28)33-22-32(23-6-2-1-3-7-23)39-34(40-33)25-14-18-29(19-15-25)38-36(44)27-9-5-11-31(21-27)42(47)48/h1-22H,(H,37,43)(H,38,44)