[4-(cyanomethyl)phenyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [4-(cyanomethyl)phenyl] 3-methyl-4-nitro-benzoate Openeye Name: [4-(cyanomethyl)phenyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [4-(cyanomethyl)phenyl] ester IUPAC Name: [4-(cyanomethyl)phenyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [4-(cyanomethyl)phenyl] ester Formula: C16H12N2O4 MolecularWeight: 296.27748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC2=CC=C(C=C2)CC#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC2=CC=C(C=C2)CC#N)[N+](=O)[O-]

InChI

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