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

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-5-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]furan-2-carboxamide Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]furan-2-carboxamide CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-5-[(4-bromo-3-nitro-1-pyrazolyl)methyl]-2-furancarboxamide IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-5-[(4-bromo-3-nitropyrazol-1-yl)methyl]furan-2-carboxamide Traditional Name: 5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-[(E)-piperonylideneamino]-2-furamide Formula: C17H12BrN5O6 MolecularWeight: 462.21108

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=NNC(=O)C3=CC=C(O3)CN4C=C(C(=N4)[N+](=O)[O-])Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=N/NC(=O)C3=CC=C(O3)CN4C=C(C(=N4)[N+](=O)[O-])Br

InChI

InChI=1S/C17H12BrN5O6/c18-12-8-22(21-16(12)23(25)26)7-11-2-4-14(29-11)17(24)20-19-6-10-1-3-13-15(5-10)28-9-27-13/h1-6,8H,7,9H2,(H,20,24)/b19-6+