4-bromanyl-N-(3,4-dimethoxyphenyl)-3-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: 4-bromanyl-N-(3,4-dimethoxyphenyl)-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: 4-bromo-N-(3,4-dimethoxyphenyl)-3-nitro-1H-pyrazole-5-carboxamide CAS Name: 4-bromo-N-(3,4-dimethoxyphenyl)-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 4-bromo-N-(3,4-dimethoxyphenyl)-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: 4-bromo-N-(3,4-dimethoxyphenyl)-3-nitro-1H-pyrazole-5-carboxamide Formula: C12H11BrN4O5 MolecularWeight: 371.14354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=C(C(=NN2)[N+](=O)[O-])Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=C(C(=NN2)[N+](=O)[O-])Br)OC

InChI

InChI=1S/C12H11BrN4O5/c1-21-7-4-3-6(5-8(7)22-2)14-12(18)10-9(13)11(16-15-10)17(19)20/h3-5H,1-2H3,(H,14,18)(H,15,16)