1,1-dinitro-3-phenyl-3-(2,3,4,5-tetranitrophenyl)urea

Systemtic Name: 1,1-dinitro-3-phenyl-3-(2,3,4,5-tetranitrophenyl)urea Openeye Name: 1,1-dinitro-3-phenyl-3-(2,3,4,5-tetranitrophenyl)urea CAS Name: 1,1-dinitro-3-phenyl-3-(2,3,4,5-tetranitrophenyl)urea IUPAC Name: 1,1-dinitro-3-phenyl-3-(2,3,4,5-tetranitrophenyl)urea Traditional Name: 1,1-dinitro-3-phenyl-3-(2,3,4,5-tetranitrophenyl)urea Formula: C13H6N8O13 MolecularWeight: 482.23254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C2=CC(=C(C(=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C(=O)N([N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N(C2=CC(=C(C(=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C(=O)N([N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H6N8O13/c22-13(15(20(31)32)21(33)34)14(7-4-2-1-3-5-7)8-6-9(16(23)24)11(18(27)28)12(19(29)30)10(8)17(25)26/h1-6H