(2S)-4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-ethanimidoyl-3-oxidanylidene-butanenitrile

Systemtic Name: (2S)-4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: (2S)-4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: (2S)-4-(3,5-dimethyl-4-nitro-1-pyrazolyl)-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: (2S)-4-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: (2S)-2-acetimidoyl-4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-3-keto-butyronitrile Formula: C11H13N5O3 MolecularWeight: 263.25262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)C(C#N)C(=N)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)[C@H](C#N)C(=N)C)C)[N+](=O)[O-]

InChI

InChI=1S/C11H13N5O3/c1-6(13)9(4-12)10(17)5-15-8(3)11(16(18)19)7(2)14-15/h9,13H,5H2,1-3H3/t9-/m1/s1