N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-iodanyl-1H-pyrazole-5-carboxamide

Systemtic Name: N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-iodanyl-1H-pyrazole-5-carboxamide Openeye Name: N-[(E)-(3,4-dimethoxyphenyl)methyleneamino]-4-iodo-1H-pyrazole-5-carboxamide CAS Name: N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-iodo-1H-pyrazole-5-carboxamide IUPAC Name: N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-iodo-1H-pyrazole-5-carboxamide Traditional Name: 4-iodo-N-[(E)-veratrylideneamino]-1H-pyrazole-5-carboxamide Formula: C13H13IN4O3 MolecularWeight: 400.17179

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NNC(=O)C2=C(C=NN2)I)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=N/NC(=O)C2=C(C=NN2)I)OC

InChI

InChI=1S/C13H13IN4O3/c1-20-10-4-3-8(5-11(10)21-2)6-15-18-13(19)12-9(14)7-16-17-12/h3-7H,1-2H3,(H,16,17)(H,18,19)/b15-6+