5-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]-N-(2,3-dimethylphenyl)furan-2-carboxamide

Systemtic Name: 5-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]-N-(2,3-dimethylphenyl)furan-2-carboxamide Openeye Name: 5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-(2,3-dimethylphenyl)furan-2-carboxamide CAS Name: 5-[(4-bromo-3-nitro-1-pyrazolyl)methyl]-N-(2,3-dimethylphenyl)-2-furancarboxamide IUPAC Name: 5-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-(2,3-dimethylphenyl)furan-2-carboxamide Traditional Name: 5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-(2,3-dimethylphenyl)-2-furamide Formula: C17H15BrN4O4 MolecularWeight: 419.2294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C2=CC=C(O2)CN3C=C(C(=N3)[N+](=O)[O-])Br)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C2=CC=C(O2)CN3C=C(C(=N3)[N+](=O)[O-])Br)C

InChI

InChI=1S/C17H15BrN4O4/c1-10-4-3-5-14(11(10)2)19-17(23)15-7-6-12(26-15)8-21-9-13(18)16(20-21)22(24)25/h3-7,9H,8H2,1-2H3,(H,19,23)