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

Systemtic Name: 3-(4-bromanylpyrazol-1-yl)-N-(4-methyl-2-nitro-phenyl)propanamide Openeye Name: 3-(4-bromopyrazol-1-yl)-N-(4-methyl-2-nitro-phenyl)propanamide CAS Name: 3-(4-bromo-1-pyrazolyl)-N-(4-methyl-2-nitrophenyl)propanamide IUPAC Name: 3-(4-bromopyrazol-1-yl)-N-(4-methyl-2-nitrophenyl)propanamide Traditional Name: 3-(4-bromopyrazol-1-yl)-N-(4-methyl-2-nitro-phenyl)propionamide Formula: C13H13BrN4O3 MolecularWeight: 353.17132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CCN2C=C(C=N2)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CCN2C=C(C=N2)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H13BrN4O3/c1-9-2-3-11(12(6-9)18(20)21)16-13(19)4-5-17-8-10(14)7-15-17/h2-3,6-8H,4-5H2,1H3,(H,16,19)