N-methyl-N-phenethyl-aniline; 2,4,6-trinitrophenol

Systemtic Name: N-methyl-N-phenethyl-aniline; 2,4,6-trinitrophenol Openeye Name: N-methyl-N-phenethyl-aniline; picric acid CAS Name: N-methyl-N-phenethylaniline; 2,4,6-trinitrophenol IUPAC Name: N-methyl-N-phenethylaniline; 2,4,6-trinitrophenol Traditional Name: methyl-phenethyl-phenyl-amine; picric acid Formula: C21H20N4O7 MolecularWeight: 440.4061

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=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(CCC1=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/C15H17N.C6H3N3O7/c1-16(15-10-6-3-7-11-15)13-12-14-8-4-2-5-9-14;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-11H,12-13H2,1H3;1-2,10H