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

Systemtic Name: 5-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide Openeye Name: 5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide CAS Name: 5-[(4-bromo-3-nitro-1-pyrazolyl)methyl]-N-[1-[(4-ethylphenoxy)methyl]-4-pyrazolyl]-2-furancarboxamide IUPAC Name: 5-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide Traditional Name: 5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-2-furamide Formula: C21H19BrN6O5 MolecularWeight: 515.31676

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCN2C=C(C=N2)NC(=O)C3=CC=C(O3)CN4C=C(C(=N4)[N+](=O)[O-])Br

Isomeric SMILES

CCC1=CC=C(C=C1)OCN2C=C(C=N2)NC(=O)C3=CC=C(O3)CN4C=C(C(=N4)[N+](=O)[O-])Br

InChI

InChI=1S/C21H19BrN6O5/c1-2-14-3-5-16(6-4-14)32-13-27-10-15(9-23-27)24-21(29)19-8-7-17(33-19)11-26-12-18(22)20(25-26)28(30)31/h3-10,12H,2,11,13H2,1H3,(H,24,29)