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

Systemtic Name: 2-(methylamino)-6-(2-methyl-3-oxidanylidene-butan-2-yl)-3-nitro-benzenecarbonitrile Openeye Name: 6-(1,1-dimethyl-2-oxo-propyl)-2-(methylamino)-3-nitro-benzonitrile CAS Name: 2-(methylamino)-6-(2-methyl-3-oxobutan-2-yl)-3-nitrobenzonitrile IUPAC Name: 2-(methylamino)-6-(2-methyl-3-oxobutan-2-yl)-3-nitrobenzonitrile Traditional Name: 6-(2-keto-1,1-dimethyl-propyl)-2-(methylamino)-3-nitro-benzonitrile Formula: C13H15N3O3 MolecularWeight: 261.2765

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O3/c1-8(17)13(2,3)10-5-6-11(16(18)19)12(15-4)9(10)7-14/h5-6,15H,1-4H3