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

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

Systemtic Name:2-(dipropylamino)-3,4-dinitro-benzoic acid
Openeye Name:2-(dipropylamino)-3,4-dinitro-benzoic acid
CAS Name:2-(dipropylamino)-3,4-dinitrobenzoic acid
IUPAC Name:2-(dipropylamino)-3,4-dinitrobenzoic acid
Traditional Name:2-(dipropylamino)-3,4-dinitro-benzoic acid
Formula: C13H17N3O6
MolecularWeight: 311.29058
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C13H17N3O6/c1-3-7-14(8-4-2)11-9(13(17)18)5-6-10(15(19)20)12(11)16(21)22/h5-6H,3-4,7-8H2,1-2H3,(H,17,18)


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