ethyl 3,5-dinitro-2-phenyl-benzoate

Systemtic Name: ethyl 3,5-dinitro-2-phenyl-benzoate Openeye Name: ethyl 3,5-dinitro-2-phenyl-benzoate CAS Name: 3,5-dinitro-2-phenylbenzoic acid ethyl ester IUPAC Name: ethyl 3,5-dinitro-2-phenylbenzoate Traditional Name: 3,5-dinitro-2-phenyl-benzoic acid ethyl ester Formula: C15H12N2O6 MolecularWeight: 316.26558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1C2=CC=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1C2=CC=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H12N2O6/c1-2-23-15(18)12-8-11(16(19)20)9-13(17(21)22)14(12)10-6-4-3-5-7-10/h3-9H,2H2,1H3