tert-butyl 4-(dimethylamino)-3,5-dinitro-benzoate

Systemtic Name: tert-butyl 4-(dimethylamino)-3,5-dinitro-benzoate Openeye Name: tert-butyl 4-(dimethylamino)-3,5-dinitro-benzoate CAS Name: 4-(dimethylamino)-3,5-dinitrobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-(dimethylamino)-3,5-dinitrobenzoate Traditional Name: 4-(dimethylamino)-3,5-dinitro-benzoic acid tert-butyl ester Formula: C13H17N3O6 MolecularWeight: 311.29058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O6/c1-13(2,3)22-12(17)8-6-9(15(18)19)11(14(4)5)10(7-8)16(20)21/h6-7H,1-5H3