N-[2,6-bis[2-(4-methylphenyl)ethynyl]-4-nitro-phenyl]-4-bromanyl-butanamide

Systemtic Name: N-[2,6-bis[2-(4-methylphenyl)ethynyl]-4-nitro-phenyl]-4-bromanyl-butanamide Openeye Name: 4-bromo-N-[4-nitro-2,6-bis[2-(p-tolyl)ethynyl]phenyl]butanamide CAS Name: N-[2,6-bis[2-(4-methylphenyl)ethynyl]-4-nitrophenyl]-4-bromobutanamide IUPAC Name: N-[2,6-bis[2-(4-methylphenyl)ethynyl]-4-nitrophenyl]-4-bromobutanamide Traditional Name: 4-bromo-N-[4-nitro-2,6-bis[2-(p-tolyl)ethynyl]phenyl]butyramide Formula: C28H23BrN2O3 MolecularWeight: 515.39782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CC2=CC(=CC(=C2NC(=O)CCCBr)C#CC3=CC=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C#CC2=CC(=CC(=C2NC(=O)CCCBr)C#CC3=CC=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C28H23BrN2O3/c1-20-5-9-22(10-6-20)13-15-24-18-26(31(33)34)19-25(28(24)30-27(32)4-3-17-29)16-14-23-11-7-21(2)8-12-23/h5-12,18-19H,3-4,17H2,1-2H3,(H,30,32)