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

Systemtic Name: 3,5-dinitro-4-(propylamino)benzoic acid Openeye Name: 3,5-dinitro-4-(propylamino)benzoic acid CAS Name: 3,5-dinitro-4-(propylamino)benzoic acid IUPAC Name: 3,5-dinitro-4-(propylamino)benzoic acid Traditional Name: 3,5-dinitro-4-(propylamino)benzoic acid Formula: C10H11N3O6 MolecularWeight: 269.21084

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C=C(C=C1[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCNC1=C(C=C(C=C1[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C10H11N3O6/c1-2-3-11-9-7(12(16)17)4-6(10(14)15)5-8(9)13(18)19/h4-5,11H,2-3H2,1H3,(H,14,15)