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

Systemtic Name: 3,5-dinitro-4-(3-oxidanylpropylamino)benzoate Openeye Name: 4-(3-hydroxypropylamino)-3,5-dinitro-benzoate CAS Name: 4-(3-hydroxypropylamino)-3,5-dinitrobenzoate IUPAC Name: 4-(3-hydroxypropylamino)-3,5-dinitrobenzoate Traditional Name: 4-(3-hydroxypropylamino)-3,5-dinitro-benzoate Formula: C10H10N3O7- MolecularWeight: 284.2023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11N3O7/c14-3-1-2-11-9-7(12(17)18)4-6(10(15)16)5-8(9)13(19)20/h4-5,11,14H,1-3H2,(H,15,16)/p-1