N-methyl-N-[(E)-3-phenylprop-2-enyl]benzeneamine oxide; 2,4,6-trinitrophenol

Systemtic Name: N-methyl-N-[(E)-3-phenylprop-2-enyl]benzeneamine oxide; 2,4,6-trinitrophenol Openeye Name: N-[(E)-cinnamyl]-N-methyl-benzeneamine oxide; picric acid CAS Name: N-methyl-N-[(E)-3-phenylprop-2-enyl]benzeneamine oxide; 2,4,6-trinitrophenol IUPAC Name: N-methyl-N-[(E)-3-phenylprop-2-enyl]benzeneamine oxide; 2,4,6-trinitrophenol Traditional Name: N-[(E)-cinnamyl]-N-methyl-benzeneamine oxide; picric acid Formula: C22H20N4O8 MolecularWeight: 468.4162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO.C6H3N3O7/c1-17(18,16-12-6-3-7-13-16)14-8-11-15-9-4-2-5-10-15;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-13H,14H2,1H3;1-2,10H/b11-8+;