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

Systemtic Name: 4-(dipropylamino)-3,5-dinitro-benzoic acid Openeye Name: 4-(dipropylamino)-3,5-dinitro-benzoic acid CAS Name: 4-(dipropylamino)-3,5-dinitrobenzoic acid IUPAC Name: 4-(dipropylamino)-3,5-dinitrobenzoic acid Traditional Name: 4-(dipropylamino)-3,5-dinitro-benzoic acid Formula: C13H17N3O6 MolecularWeight: 311.29058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

InChI

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