N-(2-methyl-1,3-benzothiazol-5-yl)ethanamide; 2,4,6-trinitrophenol

Systemtic Name: N-(2-methyl-1,3-benzothiazol-5-yl)ethanamide; 2,4,6-trinitrophenol Openeye Name: N-(2-methyl-1,3-benzothiazol-5-yl)acetamide; picric acid CAS Name: N-(2-methyl-1,3-benzothiazol-5-yl)acetamide; 2,4,6-trinitrophenol IUPAC Name: N-(2-methyl-1,3-benzothiazol-5-yl)acetamide; 2,4,6-trinitrophenol Traditional Name: N-(2-methyl-1,3-benzothiazol-5-yl)acetamide; picric acid Formula: C16H13N5O8S MolecularWeight: 435.36812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=CC(=C2)NC(=O)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(S1)C=CC(=C2)NC(=O)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H10N2OS.C6H3N3O7/c1-6(13)11-8-3-4-10-9(5-8)12-7(2)14-10;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-5H,1-2H3,(H,11,13);1-2,10H