butyl 4-azanylbenzoate; 2,4,6-trinitrophenol

Systemtic Name: butyl 4-azanylbenzoate; 2,4,6-trinitrophenol Openeye Name: butyl 4-aminobenzoate; picric acid CAS Name: 4-aminobenzoic acid butyl ester; 2,4,6-trinitrophenol IUPAC Name: butyl 4-aminobenzoate; 2,4,6-trinitrophenol Traditional Name: 4-aminobenzoic acid butyl ester; picric acid Formula: C17H18N4O9 MolecularWeight: 422.34622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15NO2.C6H3N3O7/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-7H,2-3,8,12H2,1H3;1-2,10H