3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-(5-nitro-2-oxidanyl-phenyl)propanamide

Systemtic Name: 3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-(5-nitro-2-oxidanyl-phenyl)propanamide Openeye Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-(2-hydroxy-5-nitro-phenyl)propanamide CAS Name: 3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-N-(2-hydroxy-5-nitrophenyl)propanamide IUPAC Name: 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-5-nitrophenyl)propanamide Traditional Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-(2-hydroxy-5-nitro-phenyl)propionamide Formula: C14H15BrN4O4 MolecularWeight: 383.1973

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15BrN4O4/c1-8-14(15)9(2)18(17-8)6-5-13(21)16-11-7-10(19(22)23)3-4-12(11)20/h3-4,7,20H,5-6H2,1-2H3,(H,16,21)