N-(4-bromanyl-3-methyl-phenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide CAS Name: N-(4-bromo-3-methylphenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-(4-bromo-3-methylphenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Formula: C12H11BrN4O4 MolecularWeight: 355.14414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=C(C(=NN2)OC)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=C(C(=NN2)OC)[N+](=O)[O-])Br

InChI

InChI=1S/C12H11BrN4O4/c1-6-5-7(3-4-8(6)13)14-11(18)9-10(17(19)20)12(21-2)16-15-9/h3-5H,1-2H3,(H,14,18)(H,15,16)