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

Systemtic Name: N-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-5-tert-butyl-1H-pyrazole-3-carboxamide Openeye Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-5-tert-butyl-1H-pyrazole-3-carboxamide CAS Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-5-tert-butyl-1H-pyrazole-3-carboxamide IUPAC Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-5-tert-butyl-1H-pyrazole-3-carboxamide Traditional Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-5-tert-butyl-1H-pyrazole-3-carboxamide Formula: C16H17BrN4O3 MolecularWeight: 393.23518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NN1)C(=O)NN=CC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

CC(C)(C)C1=CC(=NN1)C(=O)N/N=C/C2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C16H17BrN4O3/c1-16(2,3)14-6-11(19-20-14)15(22)21-18-7-9-4-12-13(5-10(9)17)24-8-23-12/h4-7H,8H2,1-3H3,(H,19,20)(H,21,22)/b18-7+