(4-bromanyl-3-methyl-phenyl) 3,5-dinitrobenzoate

Systemtic Name: (4-bromanyl-3-methyl-phenyl) 3,5-dinitrobenzoate Openeye Name: (4-bromo-3-methyl-phenyl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (4-bromo-3-methylphenyl) ester IUPAC Name: (4-bromo-3-methylphenyl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (4-bromo-3-methyl-phenyl) ester Formula: C14H9BrN2O6 MolecularWeight: 381.13506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9BrN2O6/c1-8-4-12(2-3-13(8)15)23-14(18)9-5-10(16(19)20)7-11(6-9)17(21)22/h2-7H,1H3