3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-(2,5-dimethylphenyl)propanamide

Systemtic Name: 3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-(2,5-dimethylphenyl)propanamide Openeye Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-(2,5-dimethylphenyl)propanamide CAS Name: 3-(4-bromo-3-nitro-1-pyrazolyl)-N-(2,5-dimethylphenyl)propanamide IUPAC Name: 3-(4-bromo-3-nitropyrazol-1-yl)-N-(2,5-dimethylphenyl)propanamide Traditional Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-(2,5-dimethylphenyl)propionamide Formula: C14H15BrN4O3 MolecularWeight: 367.1979

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15BrN4O3/c1-9-3-4-10(2)12(7-9)16-13(20)5-6-18-8-11(15)14(17-18)19(21)22/h3-4,7-8H,5-6H2,1-2H3,(H,16,20)