4-bromanyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1H-pyrazole-5-carboxamide

Systemtic Name: 4-bromanyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1H-pyrazole-5-carboxamide Openeye Name: 4-bromo-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-1H-pyrazole-5-carboxamide CAS Name: 4-bromo-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1H-pyrazole-5-carboxamide IUPAC Name: 4-bromo-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1H-pyrazole-5-carboxamide Traditional Name: 4-bromo-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-1H-pyrazole-5-carboxamide Formula: C12H8BrN5O5 MolecularWeight: 382.12642

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=NNC(=O)C3=C(C=NN3)Br)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=N/NC(=O)C3=C(C=NN3)Br)[N+](=O)[O-]

InChI

InChI=1S/C12H8BrN5O5/c13-7-4-15-16-11(7)12(19)17-14-3-6-1-9-10(23-5-22-9)2-8(6)18(20)21/h1-4H,5H2,(H,15,16)(H,17,19)/b14-3+