N-(5-chloranyl-2-oxidanyl-phenyl)-3-(3-methyl-4-nitro-pyrazol-1-yl)propanamide

Systemtic Name: N-(5-chloranyl-2-oxidanyl-phenyl)-3-(3-methyl-4-nitro-pyrazol-1-yl)propanamide Openeye Name: N-(5-chloro-2-hydroxy-phenyl)-3-(3-methyl-4-nitro-pyrazol-1-yl)propanamide CAS Name: N-(5-chloro-2-hydroxyphenyl)-3-(3-methyl-4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-(5-chloro-2-hydroxyphenyl)-3-(3-methyl-4-nitropyrazol-1-yl)propanamide Traditional Name: N-(5-chloro-2-hydroxy-phenyl)-3-(3-methyl-4-nitro-pyrazol-1-yl)propionamide Formula: C13H13ClN4O4 MolecularWeight: 324.71972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1[N+](=O)[O-])CCC(=O)NC2=C(C=CC(=C2)Cl)O

Isomeric SMILES

CC1=NN(C=C1[N+](=O)[O-])CCC(=O)NC2=C(C=CC(=C2)Cl)O

InChI

InChI=1S/C13H13ClN4O4/c1-8-11(18(21)22)7-17(16-8)5-4-13(20)15-10-6-9(14)2-3-12(10)19/h2-3,6-7,19H,4-5H2,1H3,(H,15,20)