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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O6/c1-4-5-6-22-13(17)9-7-10(15(18)19)12(14(2)3)11(8-9)16(20)21/h7-8H,4-6H2,1-3H3