(4-chloranyl-3-methyl-phenyl) 4-methyl-3,5-dinitro-benzoate

Systemtic Name: (4-chloranyl-3-methyl-phenyl) 4-methyl-3,5-dinitro-benzoate Openeye Name: (4-chloro-3-methyl-phenyl) 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid (4-chloro-3-methylphenyl) ester IUPAC Name: (4-chloro-3-methylphenyl) 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid (4-chloro-3-methyl-phenyl) ester Formula: C15H11ClN2O6 MolecularWeight: 350.71064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11ClN2O6/c1-8-5-11(3-4-12(8)16)24-15(19)10-6-13(17(20)21)9(2)14(7-10)18(22)23/h3-7H,1-2H3