(5-methyl-2-nitro-phenyl) 3-cyanobenzoate

Systemtic Name: (5-methyl-2-nitro-phenyl) 3-cyanobenzoate Openeye Name: (5-methyl-2-nitro-phenyl) 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid (5-methyl-2-nitrophenyl) ester IUPAC Name: (5-methyl-2-nitrophenyl) 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid (5-methyl-2-nitro-phenyl) ester Formula: C15H10N2O4 MolecularWeight: 282.2509

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])OC(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])OC(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C15H10N2O4/c1-10-5-6-13(17(19)20)14(7-10)21-15(18)12-4-2-3-11(8-12)9-16/h2-8H,1H3