tert-butyl 2-(2,4-dinitrophenyl)-3,4-dinitro-cyclohexa-1,3-diene-1-carboxylate

Systemtic Name: tert-butyl 2-(2,4-dinitrophenyl)-3,4-dinitro-cyclohexa-1,3-diene-1-carboxylate Openeye Name: tert-butyl 2-(2,4-dinitrophenyl)-3,4-dinitro-cyclohexa-1,3-diene-1-carboxylate CAS Name: 2-(2,4-dinitrophenyl)-3,4-dinitro-1-cyclohexa-1,3-dienecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2,4-dinitrophenyl)-3,4-dinitrocyclohexa-1,3-diene-1-carboxylate Traditional Name: 2-(2,4-dinitrophenyl)-3,4-dinitro-cyclohexa-1,3-diene-1-carboxylic acid tert-butyl ester Formula: C17H16N4O10 MolecularWeight: 436.32974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O10/c1-17(2,3)31-16(22)11-6-7-12(19(25)26)15(21(29)30)14(11)10-5-4-9(18(23)24)8-13(10)20(27)28/h4-5,8H,6-7H2,1-3H3