5-(dimethylaminomethyl)furan-2-carbaldehyde; 2,4,6-trinitrophenol

Systemtic Name: 5-(dimethylaminomethyl)furan-2-carbaldehyde; 2,4,6-trinitrophenol Openeye Name: 5-(dimethylaminomethyl)furan-2-carbaldehyde; picric acid CAS Name: 5-(dimethylaminomethyl)-2-furancarboxaldehyde; 2,4,6-trinitrophenol IUPAC Name: 5-(dimethylaminomethyl)furan-2-carbaldehyde; 2,4,6-trinitrophenol Traditional Name: 5-(dimethylaminomethyl)furfural; picric acid Formula: C14H14N4O9 MolecularWeight: 382.28236

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(O1)C=O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN(C)CC1=CC=C(O1)C=O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C8H11NO2.C6H3N3O7/c1-9(2)5-7-3-4-8(6-10)11-7;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-4,6H,5H2,1-2H3;1-2,10H