N-(4-bromanyl-3-methyl-phenyl)-2-(4-nitropyrazol-1-yl)propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C(C)N2C=C(C=N2)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C(C)N2C=C(C=N2)[N+](=O)[O-])Br

InChI

InChI=1S/C13H13BrN4O3/c1-8-5-10(3-4-12(8)14)16-13(19)9(2)17-7-11(6-15-17)18(20)21/h3-7,9H,1-2H3,(H,16,19)