3,5-dinitro-4-(3-oxidanylpropylamino)benzoic acid

Systemtic Name: 3,5-dinitro-4-(3-oxidanylpropylamino)benzoic acid Openeye Name: 4-(3-hydroxypropylamino)-3,5-dinitro-benzoic acid CAS Name: 4-(3-hydroxypropylamino)-3,5-dinitrobenzoic acid IUPAC Name: 4-(3-hydroxypropylamino)-3,5-dinitrobenzoic acid Traditional Name: 4-(3-hydroxypropylamino)-3,5-dinitro-benzoic acid Formula: C10H11N3O7 MolecularWeight: 285.21024

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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)