1-[3,5-bis(azanyl)-2,4,6-trinitro-phenyl]urea

Systemtic Name: 1-[3,5-bis(azanyl)-2,4,6-trinitro-phenyl]urea Openeye Name: (3,5-diamino-2,4,6-trinitro-phenyl)urea CAS Name: (3,5-diamino-2,4,6-trinitrophenyl)urea IUPAC Name: (3,5-diamino-2,4,6-trinitrophenyl)urea Traditional Name: (3,5-diamino-2,4,6-trinitro-phenyl)urea Formula: C7H7N7O7 MolecularWeight: 301.17318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H7N7O7/c8-1-4(12(16)17)2(9)6(14(20)21)3(11-7(10)15)5(1)13(18)19/h8-9H2,(H3,10,11,15)