N,N-diethyl-3,5-bis[2-(3-iodanyl-5-nitro-phenyl)ethynyl]aniline

Systemtic Name: N,N-diethyl-3,5-bis[2-(3-iodanyl-5-nitro-phenyl)ethynyl]aniline Openeye Name: N,N-diethyl-3,5-bis[2-(3-iodo-5-nitro-phenyl)ethynyl]aniline CAS Name: N,N-diethyl-3,5-bis[2-(3-iodo-5-nitrophenyl)ethynyl]aniline IUPAC Name: N,N-diethyl-3,5-bis[2-(3-iodo-5-nitrophenyl)ethynyl]aniline Traditional Name: [3,5-bis[2-(3-iodo-5-nitro-phenyl)ethynyl]phenyl]-diethyl-amine Formula: C26H19I2N3O4 MolecularWeight: 691.2557

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=CC(=C1)C#CC2=CC(=CC(=C2)I)[N+](=O)[O-])C#CC3=CC(=CC(=C3)I)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C1=CC(=CC(=C1)C#CC2=CC(=CC(=C2)I)[N+](=O)[O-])C#CC3=CC(=CC(=C3)I)[N+](=O)[O-]

InChI

InChI=1S/C26H19I2N3O4/c1-3-29(4-2)24-12-18(5-7-20-10-22(27)16-25(14-20)30(32)33)9-19(13-24)6-8-21-11-23(28)17-26(15-21)31(34)35/h9-17H,3-4H2,1-2H3