2-[4-[[(2-methoxycarbonyl-6-nitro-phenyl)amino]methyl]phenyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]benzonitrilium

Systemtic Name: 2-[4-[[(2-methoxycarbonyl-6-nitro-phenyl)amino]methyl]phenyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]benzonitrilium Openeye Name: N-tert-butoxycarbonyl-2-[4-[(2-methoxycarbonyl-6-nitro-anilino)methyl]phenyl]benzonitrilium CAS Name: 2-[4-[(2-methoxycarbonyl-6-nitroanilino)methyl]phenyl]-N-[(2-methylpropan-2-yl)oxy-oxomethyl]benzonitrilium IUPAC Name: 2-[4-[(2-methoxycarbonyl-6-nitroanilino)methyl]phenyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]benzonitrilium Traditional Name: N-tert-butoxycarbonyl-2-[4-[(2-carbomethoxy-6-nitro-anilino)methyl]phenyl]benzonitrilium Formula: C27H26N3O6+ MolecularWeight: 488.51184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3O6/c1-27(2,3)36-26(32)29-17-20-8-5-6-9-21(20)19-14-12-18(13-15-19)16-28-24-22(25(31)35-4)10-7-11-23(24)30(33)34/h5-15H,16H2,1-4H3/p+1