N,N-dimethyl-1-phenyl-methanamine; 2,4,6-trinitrophenol

Systemtic Name: N,N-dimethyl-1-phenyl-methanamine; 2,4,6-trinitrophenol Openeye Name: N,N-dimethyl-1-phenyl-methanamine; picric acid CAS Name: N,N-dimethyl-1-phenylmethanamine; 2,4,6-trinitrophenol IUPAC Name: N,N-dimethyl-1-phenylmethanamine; 2,4,6-trinitrophenol Traditional Name: benzyl(dimethyl)amine; picric acid Formula: C15H16N4O7 MolecularWeight: 364.31014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13N.C6H3N3O7/c1-10(2)8-9-6-4-3-5-7-9;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-7H,8H2,1-2H3;1-2,10H