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

Systemtic Name: 5-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]-N-(4-methyl-2-nitro-phenyl)furan-2-carboxamide Openeye Name: 5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-(4-methyl-2-nitro-phenyl)furan-2-carboxamide CAS Name: 5-[(4-bromo-3-nitro-1-pyrazolyl)methyl]-N-(4-methyl-2-nitrophenyl)-2-furancarboxamide IUPAC Name: 5-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-(4-methyl-2-nitrophenyl)furan-2-carboxamide Traditional Name: 5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-(4-methyl-2-nitro-phenyl)-2-furamide Formula: C16H12BrN5O6 MolecularWeight: 450.20038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrN5O6/c1-9-2-4-12(13(6-9)21(24)25)18-16(23)14-5-3-10(28-14)7-20-8-11(17)15(19-20)22(26)27/h2-6,8H,7H2,1H3,(H,18,23)