ethyl 4-(3,5-dinitrophenyl)carbonyl-3,5-bis(oxidanylidene)cyclohexane-1-carboxylate

Systemtic Name: ethyl 4-(3,5-dinitrophenyl)carbonyl-3,5-bis(oxidanylidene)cyclohexane-1-carboxylate Openeye Name: ethyl 4-(3,5-dinitrobenzoyl)-3,5-dioxo-cyclohexanecarboxylate CAS Name: 4-[(3,5-dinitrophenyl)-oxomethyl]-3,5-dioxo-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,5-dinitrobenzoyl)-3,5-dioxocyclohexane-1-carboxylate Traditional Name: 4-(3,5-dinitrobenzoyl)-3,5-diketo-cyclohexanecarboxylic acid ethyl ester Formula: C16H14N2O9 MolecularWeight: 378.29036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(=O)C(C(=O)C1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CC(=O)C(C(=O)C1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O9/c1-2-27-16(22)9-5-12(19)14(13(20)6-9)15(21)8-3-10(17(23)24)7-11(4-8)18(25)26/h3-4,7,9,14H,2,5-6H2,1H3