(2-oxidanylidenecyclohexyl)methyl 3,5-dinitrobenzoate

Systemtic Name: (2-oxidanylidenecyclohexyl)methyl 3,5-dinitrobenzoate Openeye Name: (2-oxocyclohexyl)methyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (2-oxocyclohexyl)methyl ester IUPAC Name: (2-oxocyclohexyl)methyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (2-ketocyclohexyl)methyl ester Formula: C14H14N2O7 MolecularWeight: 322.27016

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCC(=O)C(C1)COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H14N2O7/c17-13-4-2-1-3-9(13)8-23-14(18)10-5-11(15(19)20)7-12(6-10)16(21)22/h5-7,9H,1-4,8H2