1-[3,5-bis(azanyl)-1,2,4-trinitro-cyclohexa-2,5-dien-1-yl]urea

Systemtic Name: 1-[3,5-bis(azanyl)-1,2,4-trinitro-cyclohexa-2,5-dien-1-yl]urea Openeye Name: (3,5-diamino-1,2,4-trinitro-cyclohexa-2,5-dien-1-yl)urea CAS Name: (3,5-diamino-1,2,4-trinitro-1-cyclohexa-2,5-dienyl)urea IUPAC Name: (3,5-diamino-1,2,4-trinitrocyclohexa-2,5-dien-1-yl)urea Traditional Name: (3,5-diamino-1,2,4-trinitro-cyclohexa-2,5-dien-1-yl)urea Formula: C7H9N7O7 MolecularWeight: 303.18906

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(C(=C(C1(NC(=O)N)[N+](=O)[O-])[N+](=O)[O-])N)[N+](=O)[O-])N

Isomeric SMILES

C1=C(C(C(=C(C1(NC(=O)N)[N+](=O)[O-])[N+](=O)[O-])N)[N+](=O)[O-])N

InChI

InChI=1S/C7H9N7O7/c8-2-1-7(14(20)21,11-6(10)15)5(13(18)19)3(9)4(2)12(16)17/h1,4H,8-9H2,(H3,10,11,15)