[4-(2-cyanophenyl)phenyl]-(2-ethoxycarbonyl-6-nitro-phenyl)-methyl-propanoyl-azanium

Systemtic Name: [4-(2-cyanophenyl)phenyl]-(2-ethoxycarbonyl-6-nitro-phenyl)-methyl-propanoyl-azanium Openeye Name: [4-(2-cyanophenyl)phenyl]-(2-ethoxycarbonyl-6-nitro-phenyl)-methyl-propanoyl-ammonium CAS Name: [4-(2-cyanophenyl)phenyl]-(2-ethoxycarbonyl-6-nitrophenyl)-methyl-(1-oxopropyl)ammonium IUPAC Name: [4-(2-cyanophenyl)phenyl]-(2-ethoxycarbonyl-6-nitrophenyl)-methyl-propanoylazanium Traditional Name: (2-carbethoxy-6-nitro-phenyl)-[4-(2-cyanophenyl)phenyl]-methyl-propionyl-ammonium Formula: C26H24N3O5+ MolecularWeight: 458.48586

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)[N+](C)(C1=CC=C(C=C1)C2=CC=CC=C2C#N)C3=C(C=CC=C3[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCC(=O)[N+](C)(C1=CC=C(C=C1)C2=CC=CC=C2C#N)C3=C(C=CC=C3[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C26H24N3O5/c1-4-24(30)29(3,25-22(26(31)34-5-2)11-8-12-23(25)28(32)33)20-15-13-18(14-16-20)21-10-7-6-9-19(21)17-27/h6-16H,4-5H2,1-3H3/q+1