5-bromanyl-N-[(E)-1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[(E)-1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]furan-2-carboxamide Openeye Name: 5-bromo-N-[(E)-[1-methyl-2-(3-nitro-1,2,4-triazol-1-yl)ethylidene]amino]furan-2-carboxamide CAS Name: 5-bromo-N-[(E)-1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]-2-furancarboxamide IUPAC Name: 5-bromo-N-[(E)-1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]furan-2-carboxamide Traditional Name: 5-bromo-N-[(E)-[1-methyl-2-(3-nitro-1,2,4-triazol-1-yl)ethylidene]amino]-2-furamide Formula: C10H9BrN6O4 MolecularWeight: 357.12026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=C(O1)Br)CN2C=NC(=N2)[N+](=O)[O-]

Isomeric SMILES

C/C(=N\NC(=O)C1=CC=C(O1)Br)/CN2C=NC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C10H9BrN6O4/c1-6(4-16-5-12-10(15-16)17(19)20)13-14-9(18)7-2-3-8(11)21-7/h2-3,5H,4H2,1H3,(H,14,18)/b13-6+