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

Systemtic Name: 3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-(4-methyl-2-nitro-phenyl)propanamide Openeye Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-(4-methyl-2-nitro-phenyl)propanamide CAS Name: 3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-N-(4-methyl-2-nitrophenyl)propanamide IUPAC Name: 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-methyl-2-nitrophenyl)propanamide Traditional Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-(4-methyl-2-nitro-phenyl)propionamide Formula: C15H17BrN4O3 MolecularWeight: 381.22448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17BrN4O3/c1-9-4-5-12(13(8-9)20(22)23)17-14(21)6-7-19-11(3)15(16)10(2)18-19/h4-5,8H,6-7H2,1-3H3,(H,17,21)