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

Systemtic Name: 2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-N-(3-methoxy-5-nitro-phenyl)butanamide Openeye Name: 2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-(3-methoxy-5-nitro-phenyl)butanamide CAS Name: 2-(4-chloro-3,5-dimethyl-1-pyrazolyl)-N-(3-methoxy-5-nitrophenyl)butanamide IUPAC Name: 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3-methoxy-5-nitrophenyl)butanamide Traditional Name: 2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-(3-methoxy-5-nitro-phenyl)butyramide Formula: C16H19ClN4O4 MolecularWeight: 366.79946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN4O4/c1-5-14(20-10(3)15(17)9(2)19-20)16(22)18-11-6-12(21(23)24)8-13(7-11)25-4/h6-8,14H,5H2,1-4H3,(H,18,22)