acetamido 2-[[4-(2-cyanophenyl)phenyl]methyl]-4-nitro-benzoate

Systemtic Name: acetamido 2-[[4-(2-cyanophenyl)phenyl]methyl]-4-nitro-benzoate Openeye Name: acetamido 2-[[4-(2-cyanophenyl)phenyl]methyl]-4-nitro-benzoate CAS Name: 2-[[4-(2-cyanophenyl)phenyl]methyl]-4-nitrobenzoic acid acetamido ester IUPAC Name: acetamido 2-[[4-(2-cyanophenyl)phenyl]methyl]-4-nitrobenzoate Traditional Name: 2-[4-(2-cyanophenyl)benzyl]-4-nitro-benzoic acid acetamido ester Formula: C23H17N3O5 MolecularWeight: 415.39818

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NOC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])CC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CC(=O)NOC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])CC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C23H17N3O5/c1-15(27)25-31-23(28)22-11-10-20(26(29)30)13-19(22)12-16-6-8-17(9-7-16)21-5-3-2-4-18(21)14-24/h2-11,13H,12H2,1H3,(H,25,27)