4-(butylamino)-3,5-dinitro-benzoate

Systemtic Name: 4-(butylamino)-3,5-dinitro-benzoate Openeye Name: 4-(butylamino)-3,5-dinitro-benzoate CAS Name: 4-(butylamino)-3,5-dinitrobenzoate IUPAC Name: 4-(butylamino)-3,5-dinitrobenzoate Traditional Name: 4-(butylamino)-3,5-dinitro-benzoate Formula: C11H12N3O6- MolecularWeight: 282.22948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C=C(C=C1[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O6/c1-2-3-4-12-10-8(13(17)18)5-7(11(15)16)6-9(10)14(19)20/h5-6,12H,2-4H2,1H3,(H,15,16)/p-1