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

Systemtic Name: N-[2,6-bis[2-(4-methylphenyl)ethynyl]-4-nitro-phenyl]-6-bromanyl-hexanamide Openeye Name: 6-bromo-N-[4-nitro-2,6-bis[2-(p-tolyl)ethynyl]phenyl]hexanamide CAS Name: N-[2,6-bis[2-(4-methylphenyl)ethynyl]-4-nitrophenyl]-6-bromohexanamide IUPAC Name: N-[2,6-bis[2-(4-methylphenyl)ethynyl]-4-nitrophenyl]-6-bromohexanamide Traditional Name: 6-bromo-N-[4-nitro-2,6-bis[2-(p-tolyl)ethynyl]phenyl]hexanamide Formula: C30H27BrN2O3 MolecularWeight: 543.45098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H27BrN2O3/c1-22-7-11-24(12-8-22)15-17-26-20-28(33(35)36)21-27(18-16-25-13-9-23(2)10-14-25)30(26)32-29(34)6-4-3-5-19-31/h7-14,20-21H,3-6,19H2,1-2H3,(H,32,34)