N-[(E)-(7-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-1H-pyrazole-5-carboxamide

Systemtic Name: N-[(E)-(7-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-1H-pyrazole-5-carboxamide Openeye Name: N-[(E)-(7-bromo-1,3-benzodioxol-5-yl)methyleneamino]-1H-pyrazole-5-carboxamide CAS Name: N-[(E)-(7-bromo-1,3-benzodioxol-5-yl)methylideneamino]-1H-pyrazole-5-carboxamide IUPAC Name: N-[(E)-(7-bromo-1,3-benzodioxol-5-yl)methylideneamino]-1H-pyrazole-5-carboxamide Traditional Name: N-[(E)-(7-bromo-1,3-benzodioxol-5-yl)methyleneamino]-1H-pyrazole-5-carboxamide Formula: C12H9BrN4O3 MolecularWeight: 337.12886

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)C=NNC(=O)C3=CC=NN3)Br

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)/C=N/NC(=O)C3=CC=NN3)Br

InChI

InChI=1S/C12H9BrN4O3/c13-8-3-7(4-10-11(8)20-6-19-10)5-15-17-12(18)9-1-2-14-16-9/h1-5H,6H2,(H,14,16)(H,17,18)/b15-5+