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

Systemtic Name: (4-chlorophenyl) 4-methyl-3,5-dinitro-benzoate Openeye Name: (4-chlorophenyl) 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid (4-chlorophenyl) ester IUPAC Name: (4-chlorophenyl) 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid (4-chlorophenyl) ester Formula: C14H9ClN2O6 MolecularWeight: 336.68406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9ClN2O6/c1-8-12(16(19)20)6-9(7-13(8)17(21)22)14(18)23-11-4-2-10(15)3-5-11/h2-7H,1H3