butyl (E)-3-pyridin-3-ylprop-2-enoate; 2,4,6-trinitrophenol

Systemtic Name: butyl (E)-3-pyridin-3-ylprop-2-enoate; 2,4,6-trinitrophenol Openeye Name: butyl (E)-3-(3-pyridyl)prop-2-enoate; picric acid CAS Name: (E)-3-(3-pyridinyl)-2-propenoic acid butyl ester; 2,4,6-trinitrophenol IUPAC Name: butyl (E)-3-pyridin-3-ylprop-2-enoate; 2,4,6-trinitrophenol Traditional Name: picric acid; (E)-3-(3-pyridyl)acrylic acid butyl ester Formula: C18H18N4O9 MolecularWeight: 434.35692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C=CC1=CN=CC=C1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO2.C6H3N3O7/c1-2-3-9-15-12(14)7-6-11-5-4-8-13-10-11;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-8,10H,2-3,9H2,1H3;1-2,10H/b7-6+;