2-[4-[[(2-ethoxycarbonyl-6-nitro-phenyl)amino]methyl]phenyl]-N-propanoyl-benzonitrilium

Systemtic Name: 2-[4-[[(2-ethoxycarbonyl-6-nitro-phenyl)amino]methyl]phenyl]-N-propanoyl-benzonitrilium Openeye Name: 2-[4-[(2-ethoxycarbonyl-6-nitro-anilino)methyl]phenyl]-N-propanoyl-benzonitrilium CAS Name: 2-[4-[(2-ethoxycarbonyl-6-nitroanilino)methyl]phenyl]-N-(1-oxopropyl)benzonitrilium IUPAC Name: 2-[4-[(2-ethoxycarbonyl-6-nitroanilino)methyl]phenyl]-N-propanoylbenzonitrilium Traditional Name: 2-[4-[(2-carbethoxy-6-nitro-anilino)methyl]phenyl]-N-propionyl-benzonitrilium Formula: C26H24N3O5+ MolecularWeight: 458.48586

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)[N+]#CC1=CC=CC=C1C2=CC=C(C=C2)CNC3=C(C=CC=C3[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCC(=O)[N+]#CC1=CC=CC=C1C2=CC=C(C=C2)CNC3=C(C=CC=C3[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C26H23N3O5/c1-3-24(30)27-17-20-8-5-6-9-21(20)19-14-12-18(13-15-19)16-28-25-22(26(31)34-4-2)10-7-11-23(25)29(32)33/h5-15H,3-4,16H2,1-2H3/p+1