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

Systemtic Name: 3,5-bis[2-(3-azanyl-5-nitro-phenyl)ethynyl]-N,N-diethyl-aniline Openeye Name: 3,5-bis[2-(3-amino-5-nitro-phenyl)ethynyl]-N,N-diethyl-aniline CAS Name: 3,5-bis[2-(3-amino-5-nitrophenyl)ethynyl]-N,N-diethylaniline IUPAC Name: 3,5-bis[2-(3-amino-5-nitrophenyl)ethynyl]-N,N-diethylaniline Traditional Name: [3,5-bis[2-(3-amino-5-nitro-phenyl)ethynyl]phenyl]-diethyl-amine Formula: C26H23N5O4 MolecularWeight: 469.49192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23N5O4/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,3-4,27-28H2,1-2H3