4-[[2,6-bis[2-(4-methylphenyl)ethynyl]-4-nitro-phenyl]amino]-4-oxidanylidene-butanoyl chloride

Systemtic Name: 4-[[2,6-bis[2-(4-methylphenyl)ethynyl]-4-nitro-phenyl]amino]-4-oxidanylidene-butanoyl chloride Openeye Name: 4-[4-nitro-2,6-bis[2-(p-tolyl)ethynyl]anilino]-4-oxo-butanoyl chloride CAS Name: 4-[2,6-bis[2-(4-methylphenyl)ethynyl]-4-nitroanilino]-4-oxobutanoyl chloride IUPAC Name: 4-[2,6-bis[2-(4-methylphenyl)ethynyl]-4-nitroanilino]-4-oxobutanoyl chloride Traditional Name: 4-keto-4-[4-nitro-2,6-bis[2-(p-tolyl)ethynyl]anilino]butyryl chloride Formula: C28H21ClN2O4 MolecularWeight: 484.93034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H21ClN2O4/c1-19-3-7-21(8-4-19)11-13-23-17-25(31(34)35)18-24(14-12-22-9-5-20(2)6-10-22)28(23)30-27(33)16-15-26(29)32/h3-10,17-18H,15-16H2,1-2H3,(H,30,33)