2-azanyl-6-(2-methyl-3-oxidanylidene-butan-2-yl)-3-nitro-benzenecarbonitrile

Systemtic Name: 2-azanyl-6-(2-methyl-3-oxidanylidene-butan-2-yl)-3-nitro-benzenecarbonitrile Openeye Name: 2-amino-6-(1,1-dimethyl-2-oxo-propyl)-3-nitro-benzonitrile CAS Name: 2-amino-6-(2-methyl-3-oxobutan-2-yl)-3-nitrobenzonitrile IUPAC Name: 2-amino-6-(2-methyl-3-oxobutan-2-yl)-3-nitrobenzonitrile Traditional Name: 2-amino-6-(2-keto-1,1-dimethyl-propyl)-3-nitro-benzonitrile Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C)(C)C1=C(C(=C(C=C1)[N+](=O)[O-])N)C#N

Isomeric SMILES

CC(=O)C(C)(C)C1=C(C(=C(C=C1)[N+](=O)[O-])N)C#N

InChI

InChI=1S/C12H13N3O3/c1-7(16)12(2,3)9-4-5-10(15(17)18)11(14)8(9)6-13/h4-5H,14H2,1-3H3