2-[[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-methyl-6-(3-nitrophenyl)-2-phenyl-5-pyrimidinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-methyl-6-(3-nitrophenyl)-2-phenylpyrimidin-5-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]methyl]isoindoline-1,3-quinone Formula: C26H18N4O4 MolecularWeight: 450.44552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1CN2C(=O)C3=CC=CC=C3C2=O)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

CC1=NC(=NC(=C1CN2C(=O)C3=CC=CC=C3C2=O)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C26H18N4O4/c1-16-22(15-29-25(31)20-12-5-6-13-21(20)26(29)32)23(18-10-7-11-19(14-18)30(33)34)28-24(27-16)17-8-3-2-4-9-17/h2-14H,15H2,1H3