(phenylmethyl) 2-(2-cyanophenyl)-5-nitro-benzoate

Systemtic Name: (phenylmethyl) 2-(2-cyanophenyl)-5-nitro-benzoate Openeye Name: benzyl 2-(2-cyanophenyl)-5-nitro-benzoate CAS Name: 2-(2-cyanophenyl)-5-nitrobenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(2-cyanophenyl)-5-nitrobenzoate Traditional Name: 2-(2-cyanophenyl)-5-nitro-benzoic acid benzyl ester Formula: C21H14N2O4 MolecularWeight: 358.34686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14N2O4/c22-13-16-8-4-5-9-18(16)19-11-10-17(23(25)26)12-20(19)21(24)27-14-15-6-2-1-3-7-15/h1-12H,14H2