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

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

Systemtic Name:4-(dipropylamino)-3,5-dinitro-benzoate
Openeye Name:4-(dipropylamino)-3,5-dinitro-benzoate
CAS Name:4-(dipropylamino)-3,5-dinitrobenzoate
IUPAC Name:4-(dipropylamino)-3,5-dinitrobenzoate
Traditional Name:4-(dipropylamino)-3,5-dinitro-benzoate
Formula: C13H16N3O6-
MolecularWeight: 310.28264
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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)/p-1


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