N',N'-diethyl-N-(2-nitrophenyl)propane-1,3-diamine; 2,4,6-trinitrophenol

Systemtic Name: N',N'-diethyl-N-(2-nitrophenyl)propane-1,3-diamine; 2,4,6-trinitrophenol Openeye Name: N',N'-diethyl-N-(2-nitrophenyl)propane-1,3-diamine; picric acid CAS Name: N',N'-diethyl-N-(2-nitrophenyl)propane-1,3-diamine; 2,4,6-trinitrophenol IUPAC Name: N',N'-diethyl-N-(2-nitrophenyl)propane-1,3-diamine; 2,4,6-trinitrophenol Traditional Name: diethyl-[3-(2-nitroanilino)propyl]amine; picric acid Formula: C19H24N6O9 MolecularWeight: 480.42866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N3O2.C6H3N3O7/c1-3-15(4-2)11-7-10-14-12-8-5-6-9-13(12)16(17)18;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5-6,8-9,14H,3-4,7,10-11H2,1-2H3;1-2,10H