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

Systemtic Name: 3-(4-bromanylpyrazol-1-yl)-2-methyl-N-(5-nitro-2-oxidanyl-phenyl)propanamide Openeye Name: 3-(4-bromopyrazol-1-yl)-N-(2-hydroxy-5-nitro-phenyl)-2-methyl-propanamide CAS Name: 3-(4-bromo-1-pyrazolyl)-N-(2-hydroxy-5-nitrophenyl)-2-methylpropanamide IUPAC Name: 3-(4-bromopyrazol-1-yl)-N-(2-hydroxy-5-nitrophenyl)-2-methylpropanamide Traditional Name: 3-(4-bromopyrazol-1-yl)-N-(2-hydroxy-5-nitro-phenyl)-2-methyl-propionamide Formula: C13H13BrN4O4 MolecularWeight: 369.17072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13BrN4O4/c1-8(6-17-7-9(14)5-15-17)13(20)16-11-4-10(18(21)22)2-3-12(11)19/h2-5,7-8,19H,6H2,1H3,(H,16,20)