N-[4-(4-azanylphenoxy)butyl]ethanamide; 2,4,6-trinitrophenol

Systemtic Name: N-[4-(4-azanylphenoxy)butyl]ethanamide; 2,4,6-trinitrophenol Openeye Name: N-[4-(4-aminophenoxy)butyl]acetamide; picric acid CAS Name: N-[4-(4-aminophenoxy)butyl]acetamide; 2,4,6-trinitrophenol IUPAC Name: N-[4-(4-aminophenoxy)butyl]acetamide; 2,4,6-trinitrophenol Traditional Name: N-[4-(4-aminophenoxy)butyl]acetamide; picric acid Formula: C18H21N5O9 MolecularWeight: 451.38744

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCCOC1=CC=C(C=C1)N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)NCCCCOC1=CC=C(C=C1)N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H18N2O2.C6H3N3O7/c1-10(15)14-8-2-3-9-16-12-6-4-11(13)5-7-12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-7H,2-3,8-9,13H2,1H3,(H,14,15);1-2,10H