N,N-diethylaniline; 2,4,6-trinitrophenol

Systemtic Name: N,N-diethylaniline; 2,4,6-trinitrophenol Openeye Name: N,N-diethylaniline; picric acid CAS Name: N,N-diethylaniline; 2,4,6-trinitrophenol IUPAC Name: N,N-diethylaniline; 2,4,6-trinitrophenol Traditional Name: diethyl(phenyl)amine; picric acid Formula: C16H18N4O7 MolecularWeight: 378.33672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H15N.C6H3N3O7/c1-3-11(4-2)10-8-6-5-7-9-10;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5-9H,3-4H2,1-2H3;1-2,10H