2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-N-(2-cyano-4-nitro-phenyl)butanamide

Systemtic Name: 2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-N-(2-cyano-4-nitro-phenyl)butanamide Openeye Name: 2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-(2-cyano-4-nitro-phenyl)butanamide CAS Name: 2-(4-chloro-3,5-dimethyl-1-pyrazolyl)-N-(2-cyano-4-nitrophenyl)butanamide IUPAC Name: 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-cyano-4-nitrophenyl)butanamide Traditional Name: 2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-(2-cyano-4-nitro-phenyl)butyramide Formula: C16H16ClN5O3 MolecularWeight: 361.78294

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C#N)N2C(=C(C(=N2)C)Cl)C

Isomeric SMILES

CCC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C#N)N2C(=C(C(=N2)C)Cl)C

InChI

InChI=1S/C16H16ClN5O3/c1-4-14(21-10(3)15(17)9(2)20-21)16(23)19-13-6-5-12(22(24)25)7-11(13)8-18/h5-7,14H,4H2,1-3H3,(H,19,23)