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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=C(C=N1)[N+](=O)[O-])C(=O)NC2=C(C=CC(=C2)Cl)O

Isomeric SMILES

CC(CN1C=C(C=N1)[N+](=O)[O-])C(=O)NC2=C(C=CC(=C2)Cl)O

InChI

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