3-(3,5-dimethylpyrazol-1-yl)-N-(4-nitro-2-oxidanyl-phenyl)propanamide

Systemtic Name: 3-(3,5-dimethylpyrazol-1-yl)-N-(4-nitro-2-oxidanyl-phenyl)propanamide Openeye Name: 3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-4-nitro-phenyl)propanamide CAS Name: 3-(3,5-dimethyl-1-pyrazolyl)-N-(2-hydroxy-4-nitrophenyl)propanamide IUPAC Name: 3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-4-nitrophenyl)propanamide Traditional Name: 3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-4-nitro-phenyl)propionamide Formula: C14H16N4O4 MolecularWeight: 304.30124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])O)C

Isomeric SMILES

CC1=CC(=NN1CCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])O)C

InChI

InChI=1S/C14H16N4O4/c1-9-7-10(2)17(16-9)6-5-14(20)15-12-4-3-11(18(21)22)8-13(12)19/h3-4,7-8,19H,5-6H2,1-2H3,(H,15,20)