4-azanyl-1,5-dimethyl-5-(phenylmethyl)imidazol-2-one; 2,4,6-trinitrophenol

Systemtic Name: 4-azanyl-1,5-dimethyl-5-(phenylmethyl)imidazol-2-one; 2,4,6-trinitrophenol Openeye Name: 4-amino-5-benzyl-1,5-dimethyl-imidazol-2-one; picric acid CAS Name: 4-amino-1,5-dimethyl-5-(phenylmethyl)-2-imidazolone; 2,4,6-trinitrophenol IUPAC Name: 4-amino-5-benzyl-1,5-dimethylimidazol-2-one; 2,4,6-trinitrophenol Traditional Name: 4-amino-5-benzyl-1,5-dimethyl-3-imidazolin-2-one; picric acid Formula: C18H18N6O8 MolecularWeight: 446.37092

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=NC(=O)N1C)N)CC2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1(C(=NC(=O)N1C)N)CC2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O.C6H3N3O7/c1-12(8-9-6-4-3-5-7-9)10(13)14-11(16)15(12)2;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-7H,8H2,1-2H3,(H2,13,14,16);1-2,10H