(2-cyanophenyl)methyl 3-[3-(2-cyanophenyl)propanoylamino]-4-nitro-benzoate

Systemtic Name: (2-cyanophenyl)methyl 3-[3-(2-cyanophenyl)propanoylamino]-4-nitro-benzoate Openeye Name: (2-cyanophenyl)methyl 3-[3-(2-cyanophenyl)propanoylamino]-4-nitro-benzoate CAS Name: 3-[[3-(2-cyanophenyl)-1-oxopropyl]amino]-4-nitrobenzoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 3-[3-(2-cyanophenyl)propanoylamino]-4-nitrobenzoate Traditional Name: 3-[3-(2-cyanophenyl)propanoylamino]-4-nitro-benzoic acid (2-cyanobenzyl) ester Formula: C25H18N4O5 MolecularWeight: 454.43422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCC(=O)NC2=C(C=CC(=C2)C(=O)OCC3=CC=CC=C3C#N)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C(=C1)CCC(=O)NC2=C(C=CC(=C2)C(=O)OCC3=CC=CC=C3C#N)[N+](=O)[O-])C#N

InChI

InChI=1S/C25H18N4O5/c26-14-19-6-2-1-5-17(19)10-12-24(30)28-22-13-18(9-11-23(22)29(32)33)25(31)34-16-21-8-4-3-7-20(21)15-27/h1-9,11,13H,10,12,16H2,(H,28,30)