4-[(4-nitrophenyl)amino]-N-[3-(2-pyridin-2-ylethynyl)phenyl]butanamide

Systemtic Name: 4-[(4-nitrophenyl)amino]-N-[3-(2-pyridin-2-ylethynyl)phenyl]butanamide Openeye Name: 4-(4-nitroanilino)-N-[3-[2-(2-pyridyl)ethynyl]phenyl]butanamide CAS Name: 4-(4-nitroanilino)-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]butanamide IUPAC Name: 4-(4-nitroanilino)-N-[3-(2-pyridin-2-ylethynyl)phenyl]butanamide Traditional Name: 4-(4-nitroanilino)-N-[3-[2-(2-pyridyl)ethynyl]phenyl]butyramide Formula: C23H20N4O3 MolecularWeight: 400.4299

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C#CC2=CC(=CC=C2)NC(=O)CCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=NC(=C1)C#CC2=CC(=CC=C2)NC(=O)CCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O3/c28-23(8-4-16-25-20-11-13-22(14-12-20)27(29)30)26-21-7-3-5-18(17-21)9-10-19-6-1-2-15-24-19/h1-3,5-7,11-15,17,25H,4,8,16H2,(H,26,28)