5-methyl-2-phenyl-7-propyl-1,3-benzoxazole; 2,4,6-trinitrophenol

Systemtic Name: 5-methyl-2-phenyl-7-propyl-1,3-benzoxazole; 2,4,6-trinitrophenol Openeye Name: 5-methyl-2-phenyl-7-propyl-1,3-benzoxazole; picric acid CAS Name: 5-methyl-2-phenyl-7-propyl-1,3-benzoxazole; 2,4,6-trinitrophenol IUPAC Name: 5-methyl-2-phenyl-7-propyl-1,3-benzoxazole; 2,4,6-trinitrophenol Traditional Name: 5-methyl-2-phenyl-7-propyl-1,3-benzoxazole; picric acid Formula: C23H20N4O8 MolecularWeight: 480.4269

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=CC(=C1)C)N=C(O2)C3=CC=CC=C3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCC1=C2C(=CC(=C1)C)N=C(O2)C3=CC=CC=C3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H17NO.C6H3N3O7/c1-3-7-14-10-12(2)11-15-16(14)19-17(18-15)13-8-5-4-6-9-13;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-6,8-11H,3,7H2,1-2H3;1-2,10H