N-[4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]-3-nitro-benzamide

Systemtic Name: N-[4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]-3-nitro-benzamide Openeye Name: N-[4-(4-methoxyphenyl)-6-(p-tolyl)pyrimidin-2-yl]-3-nitro-benzamide CAS Name: N-[4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-pyrimidinyl]-3-nitrobenzamide IUPAC Name: N-[4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]-3-nitrobenzamide Traditional Name: N-[4-(4-methoxyphenyl)-6-(p-tolyl)pyrimidin-2-yl]-3-nitro-benzamide Formula: C25H20N4O4 MolecularWeight: 440.4507

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NC(=N2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NC(=N2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H20N4O4/c1-16-6-8-17(9-7-16)22-15-23(18-10-12-21(33-2)13-11-18)27-25(26-22)28-24(30)19-4-3-5-20(14-19)29(31)32/h3-15H,1-2H3,(H,26,27,28,30)