N-methyl-N-(phenylmethyl)aniline; 2,4,6-trinitrophenol

Systemtic Name: N-methyl-N-(phenylmethyl)aniline; 2,4,6-trinitrophenol Openeye Name: N-benzyl-N-methyl-aniline; picric acid CAS Name: N-methyl-N-(phenylmethyl)aniline; 2,4,6-trinitrophenol IUPAC Name: N-benzyl-N-methylaniline; 2,4,6-trinitrophenol Traditional Name: benzyl-methyl-phenyl-amine; picric acid Formula: C20H18N4O7 MolecularWeight: 426.37952

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H15N.C6H3N3O7/c1-15(14-10-6-3-7-11-14)12-13-8-4-2-5-9-13;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-11H,12H2,1H3;1-2,10H