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

Systemtic Name: 3-(4-bromanylpyrazol-1-yl)-N-(5-nitro-2-oxidanyl-phenyl)propanamide Openeye Name: 3-(4-bromopyrazol-1-yl)-N-(2-hydroxy-5-nitro-phenyl)propanamide CAS Name: 3-(4-bromo-1-pyrazolyl)-N-(2-hydroxy-5-nitrophenyl)propanamide IUPAC Name: 3-(4-bromopyrazol-1-yl)-N-(2-hydroxy-5-nitrophenyl)propanamide Traditional Name: 3-(4-bromopyrazol-1-yl)-N-(2-hydroxy-5-nitro-phenyl)propionamide Formula: C12H11BrN4O4 MolecularWeight: 355.14414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])NC(=O)CCN2C=C(C=N2)Br)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])NC(=O)CCN2C=C(C=N2)Br)O

InChI

InChI=1S/C12H11BrN4O4/c13-8-6-14-16(7-8)4-3-12(19)15-10-5-9(17(20)21)1-2-11(10)18/h1-2,5-7,18H,3-4H2,(H,15,19)