1-(1-cyano-1-phenyl-2-propoxy-ethyl)-1-methyl-urea; 2,4,6-trinitrophenol

Systemtic Name: 1-(1-cyano-1-phenyl-2-propoxy-ethyl)-1-methyl-urea; 2,4,6-trinitrophenol Openeye Name: 1-(1-cyano-1-phenyl-2-propoxy-ethyl)-1-methyl-urea; picric acid CAS Name: 1-(1-cyano-1-phenyl-2-propoxyethyl)-1-methylurea; 2,4,6-trinitrophenol IUPAC Name: 1-(1-cyano-1-phenyl-2-propoxyethyl)-1-methylurea; 2,4,6-trinitrophenol Traditional Name: 1-(1-cyano-1-phenyl-2-propoxy-ethyl)-1-methyl-urea; picric acid Formula: C20H22N6O9 MolecularWeight: 490.42348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O2.C6H3N3O7/c1-3-9-19-11-14(10-15,17(2)13(16)18)12-7-5-4-6-8-12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-8H,3,9,11H2,1-2H3,(H2,16,18);1-2,10H