[2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 3,5-dinitrobenzoate

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 3,5-dinitrobenzoate Openeye Name: [2-(4-nitrophenyl)-2-oxo-ethyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [2-keto-2-(4-nitrophenyl)ethyl] ester Formula: C15H9N3O9 MolecularWeight: 375.24666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H9N3O9/c19-14(9-1-3-11(4-2-9)16(21)22)8-27-15(20)10-5-12(17(23)24)7-13(6-10)18(25)26/h1-7H,8H2