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

Systemtic Name: N-[2,5-bis(chloranyl)phenyl]-4-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)butanamide Openeye Name: 4-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)-N-(2,5-dichlorophenyl)butanamide CAS Name: 4-(4-chloro-5-methyl-3-nitro-1-pyrazolyl)-N-(2,5-dichlorophenyl)butanamide IUPAC Name: 4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-(2,5-dichlorophenyl)butanamide Traditional Name: 4-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)-N-(2,5-dichlorophenyl)butyramide Formula: C14H13Cl3N4O3 MolecularWeight: 391.63702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCC(=O)NC2=C(C=CC(=C2)Cl)Cl)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C(=NN1CCCC(=O)NC2=C(C=CC(=C2)Cl)Cl)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H13Cl3N4O3/c1-8-13(17)14(21(23)24)19-20(8)6-2-3-12(22)18-11-7-9(15)4-5-10(11)16/h4-5,7H,2-3,6H2,1H3,(H,18,22)