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

Systemtic Name: N-methyl-N-pentyl-aniline; 2,4,6-trinitrophenol Openeye Name: N-methyl-N-pentyl-aniline; picric acid CAS Name: N-methyl-N-pentylaniline; 2,4,6-trinitrophenol IUPAC Name: N-methyl-N-pentylaniline; 2,4,6-trinitrophenol Traditional Name: amyl-methyl-phenyl-amine; picric acid Formula: C18H22N4O7 MolecularWeight: 406.38988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N.C6H3N3O7/c1-3-4-8-11-13(2)12-9-6-5-7-10-12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5-7,9-10H,3-4,8,11H2,1-2H3;1-2,10H