N-methylaniline; 2,4,6-trinitrophenol

Systemtic Name: N-methylaniline; 2,4,6-trinitrophenol Openeye Name: N-methylaniline; picric acid CAS Name: N-methylaniline; 2,4,6-trinitrophenol IUPAC Name: N-methylaniline; 2,4,6-trinitrophenol Traditional Name: methyl(phenyl)amine; picric acid Formula: C13H12N4O7 MolecularWeight: 336.25698

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=CC=C1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CNC1=CC=CC=C1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H9N.C6H3N3O7/c1-8-7-5-3-2-4-6-7;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-6,8H,1H3;1-2,10H