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

Systemtic Name: 2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-N-[3-(2,5-dimethylphenoxy)-5-nitro-phenyl]butanamide Openeye Name: 2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-[3-(2,5-dimethylphenoxy)-5-nitro-phenyl]butanamide CAS Name: 2-(4-chloro-3,5-dimethyl-1-pyrazolyl)-N-[3-(2,5-dimethylphenoxy)-5-nitrophenyl]butanamide IUPAC Name: 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(2,5-dimethylphenoxy)-5-nitrophenyl]butanamide Traditional Name: 2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-[3-(2,5-dimethylphenoxy)-5-nitro-phenyl]butyramide Formula: C23H25ClN4O4 MolecularWeight: 456.922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25ClN4O4/c1-6-20(27-16(5)22(24)15(4)26-27)23(29)25-17-10-18(28(30)31)12-19(11-17)32-21-9-13(2)7-8-14(21)3/h7-12,20H,6H2,1-5H3,(H,25,29)