2-(2-isocyanopropan-2-yl)-1,3-dimethyl-5-nitro-benzene

Systemtic Name: 2-(2-isocyanopropan-2-yl)-1,3-dimethyl-5-nitro-benzene Openeye Name: 2-(1-isocyano-1-methyl-ethyl)-1,3-dimethyl-5-nitro-benzene CAS Name: 2-(2-isocyanopropan-2-yl)-1,3-dimethyl-5-nitrobenzene IUPAC Name: 2-(2-isocyanopropan-2-yl)-1,3-dimethyl-5-nitrobenzene Traditional Name: 2-(1-isocyano-1-methyl-ethyl)-1,3-dimethyl-5-nitro-benzene Formula: C12H14N2O2 MolecularWeight: 218.25176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C(C)(C)[N+]#[C-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C(C)(C)[N+]#[C-])C)[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O2/c1-8-6-10(14(15)16)7-9(2)11(8)12(3,4)13-5/h6-7H,1-4H3