2-[4-(dimethylamino)-3-nitro-phenyl]carbonyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide

Systemtic Name: 2-[4-(dimethylamino)-3-nitro-phenyl]carbonyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide Openeye Name: 2-[4-(dimethylamino)-3-nitro-benzoyl]-N-[3-[2-(2-pyridyl)ethynyl]phenyl]benzamide CAS Name: 2-[[4-(dimethylamino)-3-nitrophenyl]-oxomethyl]-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]benzamide IUPAC Name: 2-[4-(dimethylamino)-3-nitrobenzoyl]-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide Traditional Name: 2-[4-(dimethylamino)-3-nitro-benzoyl]-N-[3-[2-(2-pyridyl)ethynyl]phenyl]benzamide Formula: C29H22N4O4 MolecularWeight: 490.50938

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C29H22N4O4/c1-32(2)26-16-14-21(19-27(26)33(36)37)28(34)24-11-3-4-12-25(24)29(35)31-23-10-7-8-20(18-23)13-15-22-9-5-6-17-30-22/h3-12,14,16-19H,1-2H3,(H,31,35)