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

Systemtic Name: 2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxy-phenyl)butanamide Openeye Name: 2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-[3-nitro-5-(3-pyridyloxy)phenyl]butanamide CAS Name: 2-(4-chloro-3,5-dimethyl-1-pyrazolyl)-N-[3-nitro-5-(3-pyridinyloxy)phenyl]butanamide IUPAC Name: 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)butanamide Traditional Name: 2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-[3-nitro-5-(3-pyridyloxy)phenyl]butyramide Formula: C20H20ClN5O4 MolecularWeight: 429.8569

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=CC(=C1)OC2=CN=CC=C2)[N+](=O)[O-])N3C(=C(C(=N3)C)Cl)C

Isomeric SMILES

CCC(C(=O)NC1=CC(=CC(=C1)OC2=CN=CC=C2)[N+](=O)[O-])N3C(=C(C(=N3)C)Cl)C

InChI

InChI=1S/C20H20ClN5O4/c1-4-18(25-13(3)19(21)12(2)24-25)20(27)23-14-8-15(26(28)29)10-17(9-14)30-16-6-5-7-22-11-16/h5-11,18H,4H2,1-3H3,(H,23,27)