1-[(5,5-dimethyl-2-nitro-3-oxidanylidene-cyclohexen-1-yl)amino]thiourea

Systemtic Name: 1-[(5,5-dimethyl-2-nitro-3-oxidanylidene-cyclohexen-1-yl)amino]thiourea Openeye Name: [(5,5-dimethyl-2-nitro-3-oxo-cyclohexen-1-yl)amino]thiourea CAS Name: [(5,5-dimethyl-2-nitro-3-oxo-1-cyclohexenyl)amino]thiourea IUPAC Name: [(5,5-dimethyl-2-nitro-3-oxocyclohexen-1-yl)amino]thiourea Traditional Name: [(3-keto-5,5-dimethyl-2-nitro-cyclohexen-1-yl)amino]thiourea Formula: C9H14N4O3S MolecularWeight: 258.29746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H14N4O3S/c1-9(2)3-5(11-12-8(10)17)7(13(15)16)6(14)4-9/h11H,3-4H2,1-2H3,(H3,10,12,17)