phenyl 4-methyl-3,5-dinitro-benzoate

Systemtic Name: phenyl 4-methyl-3,5-dinitro-benzoate Openeye Name: phenyl 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid phenyl ester IUPAC Name: phenyl 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid phenyl ester Formula: C14H10N2O6 MolecularWeight: 302.239

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10N2O6/c1-9-12(15(18)19)7-10(8-13(9)16(20)21)14(17)22-11-5-3-2-4-6-11/h2-8H,1H3