(3-phenoxyphenyl)methyl 4-methyl-3,5-dinitro-benzoate

Systemtic Name: (3-phenoxyphenyl)methyl 4-methyl-3,5-dinitro-benzoate Openeye Name: (3-phenoxyphenyl)methyl 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid (3-phenoxyphenyl)methyl ester IUPAC Name: (3-phenoxyphenyl)methyl 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid (3-phenoxybenzyl) ester Formula: C21H16N2O7 MolecularWeight: 408.36094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H16N2O7/c1-14-19(22(25)26)11-16(12-20(14)23(27)28)21(24)29-13-15-6-5-9-18(10-15)30-17-7-3-2-4-8-17/h2-12H,13H2,1H3