1-[(E)-(2,4,6-trimethyl-3,5-dinitro-phenyl)methylideneamino]urea

Systemtic Name: 1-[(E)-(2,4,6-trimethyl-3,5-dinitro-phenyl)methylideneamino]urea Openeye Name: [(E)-(2,4,6-trimethyl-3,5-dinitro-phenyl)methyleneamino]urea CAS Name: [(E)-(2,4,6-trimethyl-3,5-dinitrophenyl)methylideneamino]urea IUPAC Name: [(E)-(2,4,6-trimethyl-3,5-dinitrophenyl)methylideneamino]urea Traditional Name: [(E)-(2,4,6-trimethyl-3,5-dinitro-benzylidene)amino]urea Formula: C11H13N5O5 MolecularWeight: 295.25142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1[N+](=O)[O-])C)[N+](=O)[O-])C)C=NNC(=O)N

Isomeric SMILES

CC1=C(C(=C(C(=C1[N+](=O)[O-])C)[N+](=O)[O-])C)/C=N/NC(=O)N

InChI

InChI=1S/C11H13N5O5/c1-5-8(4-13-14-11(12)17)6(2)10(16(20)21)7(3)9(5)15(18)19/h4H,1-3H3,(H3,12,14,17)/b13-4+