(E)-3-azanyl-2-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]but-2-enenitrile Formula: C11H13N5O3 MolecularWeight: 263.25262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C(=NN1CC(=O)/C(=C(\C)/N)/C#N)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/h5,13H2,1-3H3/b9-6+