[2-cyano-6-nitro-4-(phenylmethyl)phenyl] ethanoate

Systemtic Name: [2-cyano-6-nitro-4-(phenylmethyl)phenyl] ethanoate Openeye Name: (4-benzyl-2-cyano-6-nitro-phenyl) acetate CAS Name: acetic acid [2-cyano-6-nitro-4-(phenylmethyl)phenyl] ester IUPAC Name: (4-benzyl-2-cyano-6-nitrophenyl) acetate Traditional Name: acetic acid (4-benzyl-2-cyano-6-nitro-phenyl) ester Formula: C16H12N2O4 MolecularWeight: 296.27748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1C#N)CC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1C#N)CC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O4/c1-11(19)22-16-14(10-17)8-13(9-15(16)18(20)21)7-12-5-3-2-4-6-12/h2-6,8-9H,7H2,1H3