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

Systemtic Name: N-(2-adamantyl)-5-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]furan-2-carboxamide Openeye Name: N-(2-adamantyl)-5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]furan-2-carboxamide CAS Name: N-(2-adamantyl)-5-[(4-bromo-3-nitro-1-pyrazolyl)methyl]-2-furancarboxamide IUPAC Name: N-(2-adamantyl)-5-[(4-bromo-3-nitropyrazol-1-yl)methyl]furan-2-carboxamide Traditional Name: N-(2-adamantyl)-5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-2-furamide Formula: C19H21BrN4O4 MolecularWeight: 449.29844

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)C4=CC=C(O4)CN5C=C(C(=N5)[N+](=O)[O-])Br

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)C4=CC=C(O4)CN5C=C(C(=N5)[N+](=O)[O-])Br

InChI

InChI=1S/C19H21BrN4O4/c20-15-9-23(22-18(15)24(26)27)8-14-1-2-16(28-14)19(25)21-17-12-4-10-3-11(6-12)7-13(17)5-10/h1-2,9-13,17H,3-8H2,(H,21,25)